CID 214460

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

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O3S/c1-20(2)24(22,23)13-8-9-15-14(10-13)17(18-11-16(21)19-15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)
InChIKey
QOILOOGANXGBOY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

343.09906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.106336 179.7
[M+Na]+ 366.088278 186.2
[M-H]- 342.091784 185.9
[M+NH4]+ 361.132883 190.6
[M+K]+ 382.062218 186.8
[M+H-H2O]+ 326.096320 171.5
[M+HCOO]- 388.097261 192.9
[M+CH3COO]- 402.112911 211.7
[M+Na-2H]- 364.073726 183.5
[M]+ 343.09851142 178.6
[M]- 343.09960858 178.6
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