CID 3792687

5-amino-n-(4-methoxyphenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C18H23N3O3S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)N3CCCCC3
InChI
InChI=1S/C18H23N3O3S/c1-24-16-8-6-15(7-9-16)20-25(22,23)18-13-14(19)5-10-17(18)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12,19H2,1H3
InChIKey
YJOSJOJHDHFDPR-UHFFFAOYSA-N
Compound name
5-amino-N-(4-methoxyphenyl)-2-piperidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

361.14603 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15331 182.5
[M+Na]+ 384.13525 187.3
[M-H]- 360.13875 189.6
[M+NH4]+ 379.17985 192.8
[M+K]+ 400.10919 182.0
[M+H-H2O]+ 344.14329 173.0
[M+HCOO]- 406.14423 197.0
[M+CH3COO]- 420.15988 215.6
[M+Na-2H]- 382.12070 185.0
[M]+ 361.14548 180.0
[M]- 361.14658 180.0
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.