CID 372003

Nsc646819

Structural Information

Molecular Formula
C25H17N5O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H17N5O4/c31-21(24(34)30-25-28-16-8-4-5-9-17(16)29-25)13-20-23(33)27-19-12-15(10-11-18(19)26-20)22(32)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,33)(H2,28,29,30,34)
InChIKey
DLVBALDJLXGDJW-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.12805 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.13533 203.1
[M+Na]+ 474.11727 210.1
[M-H]- 450.12077 207.9
[M+NH4]+ 469.16187 207.1
[M+K]+ 490.09121 202.2
[M+H-H2O]+ 434.12531 191.4
[M+HCOO]- 496.12625 217.2
[M+CH3COO]- 510.14190 209.8
[M+Na-2H]- 472.10272 206.4
[M]+ 451.12750 203.0
[M]- 451.12860 203.0
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.