CID 119057599

Cola teric jsc

Structural Information

Molecular Formula
C15H32N2O6S
SMILES
CCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C15H32N2O6S/c1-2-3-4-5-6-7-15(20)16-8-9-17(10-11-18)12-14(19)13-24(21,22)23/h14,18-19H,2-13H2,1H3,(H,16,20)(H,21,22,23)
InChIKey
IFSLZXOONBOFNK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

609
Patents

368.19812 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20540 187.0
[M+Na]+ 391.18734 186.9
[M-H]- 367.19084 182.4
[M+NH4]+ 386.23194 200.1
[M+K]+ 407.16128 184.7
[M+H-H2O]+ 351.19538 179.6
[M+HCOO]- 413.19632 198.5
[M+CH3COO]- 427.21197 215.0
[M+Na-2H]- 389.17279 184.7
[M]+ 368.19757 191.9
[M]- 368.19867 191.9
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