CID 5279376

2-methoxy-n-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanyl-benzamide

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
COC1=C(C=C(C=C1)S)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O3S/c1-29-19-12-11-15(30)13-17(19)22(27)26-21-23(28)24-18-10-6-5-9-16(18)20(25-21)14-7-3-2-4-8-14/h2-13,21,30H,1H3,(H,24,28)(H,26,27)
InChIKey
IECUSAJDAIRNLC-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-5-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.11472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 202.5
[M+Na]+ 440.10394 208.6
[M-H]- 416.10744 210.2
[M+NH4]+ 435.14854 209.8
[M+K]+ 456.07788 207.3
[M+H-H2O]+ 400.11198 193.0
[M+HCOO]- 462.11292 214.9
[M+CH3COO]- 476.12857 210.0
[M+Na-2H]- 438.08939 203.3
[M]+ 417.11417 201.0
[M]- 417.11527 201.0
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.