CID 5279134

Schembl641936

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CS(=O)(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3S/c1-23(21,22)19-15-16(20)17-13-10-6-5-9-12(13)14(18-15)11-7-3-2-4-8-11/h2-10,15,19H,1H3,(H,17,20)
InChIKey
ALMRWFJINQNLQW-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

329.0834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 177.0
[M+Na]+ 352.07262 183.8
[M-H]- 328.07612 182.0
[M+NH4]+ 347.11722 187.9
[M+K]+ 368.04656 183.2
[M+H-H2O]+ 312.08066 169.0
[M+HCOO]- 374.08160 190.0
[M+CH3COO]- 388.09725 186.2
[M+Na-2H]- 350.05807 181.7
[M]+ 329.08285 174.4
[M]- 329.08395 174.4
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