CID 1307006

1-cyclopentyl-2-imino-n,8-dimethyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC)C=C1
InChI
InChI=1S/C19H21N5O2/c1-11-7-8-15-22-17-14(19(26)23(15)10-11)9-13(18(25)21-2)16(20)24(17)12-5-3-4-6-12/h7-10,12,20H,3-6H2,1-2H3,(H,21,25)
InChIKey
GCKYYSVIEVAOPS-UHFFFAOYSA-N
Compound name
7-cyclopentyl-6-imino-N,13-dimethyl-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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16953 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.176806 183.1
[M+Na]+ 374.158748 193.0
[M-H]- 350.162254 188.8
[M+NH4]+ 369.203353 195.7
[M+K]+ 390.132688 186.4
[M+H-H2O]+ 334.166790 173.3
[M+HCOO]- 396.167731 202.4
[M+CH3COO]- 410.183381 193.3
[M+Na-2H]- 372.144196 186.5
[M]+ 351.16898142 183.5
[M]- 351.17007858 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.