CID 5279134

Schembl641936

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃S

SMILES

CS(=O)(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S/c1-23(21,22)19-15-16(20)17-13-10-6-5-9-12(13)14(18-15)11-7-3-2-4-8-11/h2-10,15,19H,1H3,(H,17,20)

InChIKey

ALMRWFJINQNLQW-UHFFFAOYSA-N

Compound name

N-(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: 23
Patents: 329.0834 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.090676	177.0
[M+Na]+	352.072618	183.8
[M-H]-	328.076124	182.0
[M+NH4]+	347.117223	187.9
[M+K]+	368.046558	183.2
[M+H-H2O]+	312.080660	169.0
[M+HCOO]-	374.081601	190.0
[M+CH3COO]-	388.097251	186.2
[M+Na-2H]-	350.058066	181.7
[M]+	329.08285142	174.4
[M]-	329.08394858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe