CID 71586803

Nissan anon lh2-sf

Structural Information

Molecular Formula
C18H39NO8S2
SMILES
CCCCCCCCCCCCN(CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C18H39NO8S2/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(20)15-28(22,23)24)14-18(21)16-29(25,26)27/h17-18,20-21H,2-16H2,1H3,(H,22,23,24)(H,25,26,27)
InChIKey
GXJXDLRLPBMZMT-UHFFFAOYSA-N
Compound name
3-[dodecyl-(2-hydroxy-3-sulfopropyl)amino]-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

461.2117 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.21898 205.4
[M+Na]+ 484.20092 210.4
[M-H]- 460.20442 204.1
[M+NH4]+ 479.24552 209.9
[M+K]+ 500.17486 198.8
[M+H-H2O]+ 444.20896 197.9
[M+HCOO]- 506.20990 212.9
[M+CH3COO]- 520.22555 224.7
[M+Na-2H]- 482.18637 202.6
[M]+ 461.21115 210.5
[M]- 461.21225 210.5
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.