CID 1050205

2-imino-n-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCC4=CC=CC=C4
InChI
InChI=1S/C21H19N5O2/c1-23-20(27)15-13-16-19(24-17-9-5-6-11-25(17)21(16)28)26(18(15)22)12-10-14-7-3-2-4-8-14/h2-9,11,13,22H,10,12H2,1H3,(H,23,27)
InChIKey
QCWKZNRHHNECCF-UHFFFAOYSA-N
Compound name
6-imino-N-methyl-2-oxo-7-(2-phenylethyl)-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

373.15387 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 189.6
[M+Na]+ 396.14309 199.7
[M-H]- 372.14659 194.9
[M+NH4]+ 391.18769 198.9
[M+K]+ 412.11703 192.0
[M+H-H2O]+ 356.15113 177.9
[M+HCOO]- 418.15207 209.8
[M+CH3COO]- 432.16772 199.1
[M+Na-2H]- 394.12854 197.7
[M]+ 373.15332 191.8
[M]- 373.15442 191.8
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.