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

literature stripe

Patent stripe

patents stripe