CID 234943

Nsc35813

Structural Information

Molecular Formula
C21H38N2O3S
SMILES
CCCCCCCCCCCCOCCCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C21H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-19-12-17-23-27(24,25)21-15-13-20(22)14-16-21/h13-16,23H,2-12,17-19,22H2,1H3
InChIKey
SMWOXYRPEZRAKK-UHFFFAOYSA-N
Compound name
4-amino-N-(3-dodecoxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2603 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26758 198.8
[M+Na]+ 421.24952 200.5
[M-H]- 397.25302 199.6
[M+NH4]+ 416.29412 209.4
[M+K]+ 437.22346 194.9
[M+H-H2O]+ 381.25756 189.8
[M+HCOO]- 443.25850 214.7
[M+CH3COO]- 457.27415 226.3
[M+Na-2H]- 419.23497 198.1
[M]+ 398.25975 205.1
[M]- 398.26085 205.1
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

No patent data available for this compound.