CID 213953

Brn 0861014

Structural Information

Molecular Formula
C23H19ClN2O3S
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19ClN2O3S/c24-18-11-12-21-20(15-18)23(17-7-3-1-4-8-17)25-16-22(27)26(21)13-14-30(28,29)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKey
GFDSBVCWROITBQ-UHFFFAOYSA-N
Compound name
1-[2-(benzenesulfonyl)ethyl]-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.08778 205.7
[M+Na]+ 461.06972 214.4
[M-H]- 437.07322 214.3
[M+NH4]+ 456.11432 214.0
[M+K]+ 477.04366 211.8
[M+H-H2O]+ 421.07776 196.2
[M+HCOO]- 483.07870 214.0
[M+CH3COO]- 497.09435 214.0
[M+Na-2H]- 459.05517 208.0
[M]+ 438.07995 207.5
[M]- 438.08105 207.5
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.