CID 208449

Brn 0708091

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NS(=O)(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O3S/c1-20-15-9-8-13(19-24(2,22)23)10-14(15)17(18-11-16(20)21)12-6-4-3-5-7-12/h3-10,19H,11H2,1-2H3
InChIKey
OOYMARJASUNTQY-UHFFFAOYSA-N
Compound name
N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-7-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 181.2
[M+Na]+ 366.08828 188.7
[M-H]- 342.09178 187.6
[M+NH4]+ 361.13288 192.4
[M+K]+ 382.06222 188.8
[M+H-H2O]+ 326.09632 172.8
[M+HCOO]- 388.09726 195.2
[M+CH3COO]- 402.11291 212.0
[M+Na-2H]- 364.07373 185.1
[M]+ 343.09851 180.9
[M]- 343.09961 180.9
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

No patent data available for this compound.