CID 5279342

Schembl643203

Structural Information

Molecular Formula
C23H18BrN3O3
SMILES
COC1=CC(=C(C=C1)Br)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H18BrN3O3/c1-30-15-11-12-18(24)17(13-15)22(28)27-21-23(29)25-19-10-6-5-9-16(19)20(26-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,25,29)(H,27,28)
InChIKey
OVOQSONJBNELNC-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxy-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

25
Patents

463.05316 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.06044 201.1
[M+Na]+ 486.04238 209.2
[M-H]- 462.04588 210.8
[M+NH4]+ 481.08698 210.0
[M+K]+ 502.01632 201.6
[M+H-H2O]+ 446.05042 197.5
[M+HCOO]- 508.05136 216.0
[M+CH3COO]- 522.06701 210.4
[M+Na-2H]- 484.02783 204.6
[M]+ 463.05261 215.1
[M]- 463.05371 215.1
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.