CID 1077516

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

Structural Information

Molecular Formula
C21H25N5O2
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

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.20084 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.208116 191.1
[M+Na]+ 402.190058 198.2
[M-H]- 378.193564 195.0
[M+NH4]+ 397.234663 199.9
[M+K]+ 418.163998 191.0
[M+H-H2O]+ 362.198100 179.3
[M+HCOO]- 424.199041 207.1
[M+CH3COO]- 438.214691 199.0
[M+Na-2H]- 400.175506 196.2
[M]+ 379.20029142 189.1
[M]- 379.20138858 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.