PubChemLite - N-cyclohexyl-2-imino-5-oxo-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C21H25N5O2)

Structural Information

Molecular Formula

SMILES

CCCN1C2=C(C=C(C1=N)C(=O)NC3CCCCC3)C(=O)N4C=CC=CC4=N2

InChI

InChI=1S/C21H25N5O2/c1-2-11-26-18(22)15(20(27)23-14-8-4-3-5-9-14)13-16-19(26)24-17-10-6-7-12-25(17)21(16)28/h6-7,10,12-14,22H,2-5,8-9,11H2,1H3,(H,23,27)

InChIKey

JIOVUPWOYJHFSN-UHFFFAOYSA-N

Compound name

N-cyclohexyl-6-imino-2-oxo-7-propyl-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]+	380.20812	191.1
[M+Na]+	402.19006	198.2
[M-H]-	378.19356	195.0
[M+NH4]+	397.23466	199.9
[M+K]+	418.16400	191.0
[M+H-H2O]+	362.19810	179.3
[M+HCOO]-	424.19904	207.1
[M+CH3COO]-	438.21469	199.0
[M+Na-2H]-	400.17551	196.2
[M]+	379.20029	189.1
[M]-	379.20139	189.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.20812

191.1

[M+Na]+

402.19006

198.2

[M-H]-

378.19356

195.0

[M+NH4]+

397.23466

199.9

[M+K]+

418.16400

191.0

[M+H-H2O]+

362.19810

179.3

[M+HCOO]-

424.19904

207.1

[M+CH3COO]-

438.21469

199.0

[M+Na-2H]-

400.17551

196.2

[M]+

379.20029

189.1

[M]-

379.20139

189.1

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-5-oxo-1-propyl-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

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