CID 172407839

Chebi:231946

Structural Information

Molecular Formula
C18H37NO4S
SMILES
CCCCCCCCCCCCCCCC(=O)[C@H](CS(=O)(=O)O)N
InChI
InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24(21,22)23/h17H,2-16,19H2,1H3,(H,21,22,23)/t17-/m0/s1
InChIKey
JMWZDARYSHUMOG-KRWDZBQOSA-N
Compound name
(2R)-2-amino-3-oxooctadecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.24432 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25160 192.0
[M+Na]+ 386.23354 195.3
[M+NH4]+ 381.27814 194.8
[M+K]+ 402.20748 189.3
[M-H]- 362.23704 187.7
[M+Na-2H]- 384.21899 189.0
[M]+ 363.24377 191.0
[M]- 363.24487 191.0
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

No patent data available for this compound.