CID 24834025

N-(4'-sulfamoylphenylamine-n'-acetyl)tropinium chloride

Structural Information

Molecular Formula
C16H24N3O4S
SMILES
C[N+]1(C2CCC1CC(C2)O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H23N3O4S/c1-19(12-4-5-13(19)9-14(20)8-12)10-16(21)18-11-2-6-15(7-3-11)24(17,22)23/h2-3,6-7,12-14,20H,4-5,8-10H2,1H3,(H2-,17,18,21,22,23)/p+1
InChIKey
KSASOUZWWZNIDW-UHFFFAOYSA-O
Compound name
2-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14874 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15602 172.4
[M+Na]+ 377.13796 180.5
[M+NH4]+ 372.18256 180.7
[M+K]+ 393.11190 175.9
[M-H]- 353.14146 174.2
[M+Na-2H]- 375.12341 176.4
[M]+ 354.14819 174.5
[M]- 354.14929 174.5
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.