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 203.1
[M+Na]+ 430.25976 206.2
[M+NH4]+ 425.30436 216.3
[M+K]+ 446.23370 199.3
[M-H]- 406.26326 198.6
[M+Na-2H]- 428.24521 200.0
[M]+ 407.26999 202.0
[M]- 407.27109 202.0
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