PubChemLite - N-cyclohexyl-2-imino-10-methyl-1-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C25H32N6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)NC5CCCCC5

InChI

InChI=1S/C25H32N6O3/c1-17-6-5-9-31-22(17)28-23-20(25(31)33)16-19(24(32)27-18-7-3-2-4-8-18)21(26)30(23)11-10-29-12-14-34-15-13-29/h5-6,9,16,18,26H,2-4,7-8,10-15H2,1H3,(H,27,32)

InChIKey

NEUZNGHMNHHBFH-UHFFFAOYSA-N

Compound name

N-cyclohexyl-6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.26088	215.1
[M+Na]+	487.24282	219.3
[M-H]-	463.24632	220.1
[M+NH4]+	482.28742	216.8
[M+K]+	503.21676	212.8
[M+H-H2O]+	447.25086	200.5
[M+HCOO]-	509.25180	224.2
[M+CH3COO]-	523.26745	219.7
[M+Na-2H]-	485.22827	217.0
[M]+	464.25305	210.3
[M]-	464.25415	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.26088

215.1

[M+Na]+

487.24282

219.3

[M-H]-

463.24632

220.1

[M+NH4]+

482.28742

216.8

[M+K]+

503.21676

212.8

[M+H-H2O]+

447.25086

200.5

[M+HCOO]-

509.25180

224.2

[M+CH3COO]-

523.26745

219.7

[M+Na-2H]-

485.22827

217.0

[M]+

464.25305

210.3

[M]-

464.25415

210.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-cyclohexyl-2-imino-10-methyl-1-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe