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

0
Patents

315.06775 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 173.1
[M+Na]+ 338.05697 180.4
[M-H]- 314.06047 177.8
[M+NH4]+ 333.10157 184.3
[M+K]+ 354.03091 179.7
[M+H-H2O]+ 298.06501 165.3
[M+HCOO]- 360.06595 185.9
[M+CH3COO]- 374.08160 182.5
[M+Na-2H]- 336.04242 177.4
[M]+ 315.06720 169.3
[M]- 315.06830 169.3
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