CID 84379

14351-59-8

Structural Information

Molecular Formula
C20H41NO5S
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOS(=O)(=O)O
InChI
InChI=1S/C20H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h2-19H2,1H3,(H,21,22)(H,23,24,25)
InChIKey
CSXROEJUEGZVPU-UHFFFAOYSA-N
Compound name
2-(octadecanoylamino)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

407.27054 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27782 202.7
[M+Na]+ 430.25976 202.8
[M-H]- 406.26326 198.8
[M+NH4]+ 425.30436 211.9
[M+K]+ 446.23370 198.5
[M+H-H2O]+ 390.26780 194.8
[M+HCOO]- 452.26874 223.5
[M+CH3COO]- 466.28439 222.9
[M+Na-2H]- 428.24521 199.8
[M]+ 407.26999 212.2
[M]- 407.27109 212.2
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

patents stripe