CID 214460

Brn 0964055

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

0
Patents

343.09906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 179.7
[M+Na]+ 366.08828 186.2
[M-H]- 342.09178 185.9
[M+NH4]+ 361.13288 190.6
[M+K]+ 382.06222 186.8
[M+H-H2O]+ 326.09632 171.5
[M+HCOO]- 388.09726 192.9
[M+CH3COO]- 402.11291 211.7
[M+Na-2H]- 364.07373 183.5
[M]+ 343.09851 178.6
[M]- 343.09961 178.7
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