CID 5279183

Schembl642995

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C22H17N3O3/c26-18-13-7-5-11-16(18)21(27)25-20-22(28)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20,26H,(H,23,28)(H,25,27)
InChIKey
NWAHACSJMXNBDX-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

371.12698 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 190.6
[M+Na]+ 394.11620 196.4
[M-H]- 370.11970 197.3
[M+NH4]+ 389.16080 198.3
[M+K]+ 410.09014 194.9
[M+H-H2O]+ 354.12424 180.9
[M+HCOO]- 416.12518 206.7
[M+CH3COO]- 430.14083 198.5
[M+Na-2H]- 392.10165 194.3
[M]+ 371.12643 184.8
[M]- 371.12753 184.8
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