PubChemLite - 510761-81-6 (C24H30N6O4)

Structural Information

Molecular Formula

SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5

InChI

InChI=1S/C24H30N6O4/c25-21-18(23(31)26-16-17-5-3-12-34-17)15-19-22(27-20-6-1-2-8-29(20)24(19)32)30(21)9-4-7-28-10-13-33-14-11-28/h1-2,6,8,15,17,25H,3-5,7,9-14,16H2,(H,26,31)

InChIKey

ZEKGNMABFCRSJL-UHFFFAOYSA-N

Compound name

6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-N-(oxolan-2-ylmethyl)-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]+	467.24013	211.5
[M+Na]+	489.22207	216.2
[M-H]-	465.22557	218.0
[M+NH4]+	484.26667	213.7
[M+K]+	505.19601	211.6
[M+H-H2O]+	449.23011	198.5
[M+HCOO]-	511.23105	222.7
[M+CH3COO]-	525.24670	217.3
[M+Na-2H]-	487.20752	212.8
[M]+	466.23230	210.4
[M]-	466.23340	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.24013

211.5

[M+Na]+

489.22207

216.2

[M-H]-

465.22557

218.0

[M+NH4]+

484.26667

213.7

[M+K]+

505.19601

211.6

[M+H-H2O]+

449.23011

198.5

[M+HCOO]-

511.23105

222.7

[M+CH3COO]-

525.24670

217.3

[M+Na-2H]-

487.20752

212.8

[M]+

466.23230

210.4

[M]-

466.23340

210.4

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

510761-81-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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