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]+ 352.17681 183.1
[M+Na]+ 374.15875 193.0
[M-H]- 350.16225 188.8
[M+NH4]+ 369.20335 195.7
[M+K]+ 390.13269 186.4
[M+H-H2O]+ 334.16679 173.3
[M+HCOO]- 396.16773 202.4
[M+CH3COO]- 410.18338 193.3
[M+Na-2H]- 372.14420 186.5
[M]+ 351.16898 183.5
[M]- 351.17008 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.