CID 3083599

Stearylsulfamide

Structural Information

Molecular Formula
C24H42N2O3S
SMILES
CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C24H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-30(28,29)23-20-18-22(25)19-21-23/h18-21H,2-17,25H2,1H3,(H,26,27)
InChIKey
APVPOHHVBBYQAV-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13232
Patents

438.29163 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.29891 211.5
[M+Na]+ 461.28085 212.0
[M-H]- 437.28435 211.8
[M+NH4]+ 456.32545 220.4
[M+K]+ 477.25479 205.7
[M+H-H2O]+ 421.28889 202.2
[M+HCOO]- 483.28983 225.6
[M+CH3COO]- 497.30548 234.5
[M+Na-2H]- 459.26630 208.4
[M]+ 438.29108 217.5
[M]- 438.29218 217.5
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.