CID 1546585

N-benzyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C28H25N5O2
SMILES
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C28H25N5O2/c1-19-9-8-15-33-25(19)31-26-23(28(33)35)17-22(27(34)30-18-21-12-6-3-7-13-21)24(29)32(26)16-14-20-10-4-2-5-11-20/h2-13,15,17,29H,14,16,18H2,1H3,(H,30,34)
InChIKey
QCTOWHLNBAYSOP-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-11-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

463.20084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.20812 215.1
[M+Na]+ 486.19006 233.4
[M+NH4]+ 481.23466 221.3
[M+K]+ 502.16400 222.9
[M-H]- 462.19356 222.6
[M+Na-2H]- 484.17551 225.4
[M]+ 463.20029 220.0
[M]- 463.20139 220.0
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.