CID 210888

21856-10-0

Structural Information

Molecular Formula
C17H17ClN2O3S
SMILES
C1CN(CCC2=CC=CC=C21)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O3S/c18-15-5-7-16(8-6-15)24(22,23)19-17(21)20-11-9-13-3-1-2-4-14(13)10-12-20/h1-8H,9-12H2,(H,19,21)
InChIKey
FSZNYORWSWCYLN-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.06485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07213 181.5
[M+Na]+ 387.05407 187.6
[M-H]- 363.05757 188.1
[M+NH4]+ 382.09867 193.7
[M+K]+ 403.02801 187.2
[M+H-H2O]+ 347.06211 174.5
[M+HCOO]- 409.06305 190.6
[M+CH3COO]- 423.07870 210.4
[M+Na-2H]- 385.03952 184.8
[M]+ 364.06430 180.3
[M]- 364.06540 180.3
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