CID 5279410

Schembl643250

Structural Information

Molecular Formula
C23H17N5O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C23H17N5O3/c29-21-20(27-23(31)28-18-13-7-6-12-17(18)25-22(28)30)26-19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)24-21/h1-13,20H,(H,24,29)(H,25,30)(H,27,31)
InChIKey
MMDZZSBIXDLMTK-UHFFFAOYSA-N
Compound name
2-oxo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3H-benzimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

411.13315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14043 201.5
[M+Na]+ 434.12237 210.5
[M-H]- 410.12587 208.2
[M+NH4]+ 429.16697 208.2
[M+K]+ 450.09631 206.5
[M+H-H2O]+ 394.13041 190.3
[M+HCOO]- 456.13135 216.7
[M+CH3COO]- 470.14700 209.2
[M+Na-2H]- 432.10782 204.8
[M]+ 411.13260 197.9
[M]- 411.13370 197.9
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

patents stripe