CID 2929921

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

Structural Information

Molecular Formula
C28H25N5O2
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC=CC=C5
InChI
InChI=1S/C28H25N5O2/c1-19(21-12-6-3-7-13-21)30-27(34)22-18-23-26(31-24-14-8-9-16-32(24)28(23)35)33(25(22)29)17-15-20-10-4-2-5-11-20/h2-14,16,18-19,29H,15,17H2,1H3,(H,30,34)
InChIKey
FTCZOBKWKSITQL-UHFFFAOYSA-N
Compound name
6-imino-2-oxo-N-(1-phenylethyl)-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.20812 213.3
[M+Na]+ 486.19006 230.9
[M+NH4]+ 481.23466 219.4
[M+K]+ 502.16400 221.0
[M-H]- 462.19356 220.6
[M+Na-2H]- 484.17551 223.6
[M]+ 463.20029 218.0
[M]- 463.20139 218.0
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.