CID 218275

40431-23-0

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CN1C(=NCC2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O2S/c1-17-15(12-7-3-2-4-8-12)16-11-13-9-5-6-10-14(13)20(17,18)19/h2-10H,11H2,1H3
InChIKey
ZBKLECGMEYUWQJ-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyl-5H-1lambda6,2,4-benzothiadiazepine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 161.7
[M+Na]+ 309.06682 175.4
[M+NH4]+ 304.11142 170.7
[M+K]+ 325.04076 165.6
[M-H]- 285.07032 165.3
[M+Na-2H]- 307.05227 171.1
[M]+ 286.07705 165.5
[M]- 286.07815 165.5
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.