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]+ 355.156016 175.1
[M+Na]+ 377.137958 179.7
[M-H]- 353.141464 177.3
[M+NH4]+ 372.182563 190.6
[M+K]+ 393.111898 170.0
[M+H-H2O]+ 337.146000 172.4
[M+HCOO]- 399.146941 185.1
[M+CH3COO]- 413.162591 203.7
[M+Na-2H]- 375.123406 180.9
[M]+ 354.14819142 171.8
[M]- 354.14928858 171.8
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.