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 188.3
[M+Na]+ 396.14309 205.0
[M+NH4]+ 391.18769 194.6
[M+K]+ 412.11703 196.3
[M-H]- 372.14659 193.1
[M+Na-2H]- 394.12854 196.9
[M]+ 373.15332 192.0
[M]- 373.15442 192.0
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.