CID 208447

Brn 0962836

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃S

SMILES

C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c16-22(20,21)11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)(H2,16,20,21)

InChIKey

KYLXRDQVCVGYOT-UHFFFAOYSA-N

Compound name

2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-7-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 315.06775 Da
Monoisotopic Mass: 1.0
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]+	316.075026	173.1
[M+Na]+	338.056968	180.4
[M-H]-	314.060474	177.8
[M+NH4]+	333.101573	184.3
[M+K]+	354.030908	179.7
[M+H-H2O]+	298.065010	165.3
[M+HCOO]-	360.065951	185.9
[M+CH3COO]-	374.081601	182.5
[M+Na-2H]-	336.042416	177.4
[M]+	315.06720142	169.3
[M]-	315.06829858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe