CID 5279151

Schembl643293

Structural Information

Molecular Formula
C16H14ClN3O3S
SMILES
CS(=O)(=O)NC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H14ClN3O3S/c1-24(22,23)20-15-16(21)18-13-8-7-11(17)9-12(13)14(19-15)10-5-3-2-4-6-10/h2-9,15,20H,1H3,(H,18,21)
InChIKey
QCUYMVBATNKKFX-UHFFFAOYSA-N
Compound name
N-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

363.04443 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05171 182.2
[M+Na]+ 386.03365 191.1
[M-H]- 362.03715 187.3
[M+NH4]+ 381.07825 193.1
[M+K]+ 402.00759 189.7
[M+H-H2O]+ 346.04169 174.4
[M+HCOO]- 408.04263 191.1
[M+CH3COO]- 422.05828 191.5
[M+Na-2H]- 384.01910 186.1
[M]+ 363.04388 182.0
[M]- 363.04498 182.0
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

patents stripe