CID 61077

Ethanesulfonic acid, 2-(cyclohexyl(1-oxohexadecyl)amino)-, sodium salt (1:1)

Structural Information

Molecular Formula
C24H47NO4S
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O)C1CCCCC1
InChI
InChI=1S/C24H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(26)25(21-22-30(27,28)29)23-18-15-14-16-19-23/h23H,2-22H2,1H3,(H,27,28,29)
InChIKey
CTOCCMSWCJDJBM-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(hexadecanoyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

445.32257 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.32985 214.4
[M+Na]+ 468.31179 211.5
[M-H]- 444.31529 213.8
[M+NH4]+ 463.35639 223.0
[M+K]+ 484.28573 207.4
[M+H-H2O]+ 428.31983 205.8
[M+HCOO]- 490.32077 223.2
[M+CH3COO]- 504.33642 232.7
[M+Na-2H]- 466.29724 209.0
[M]+ 445.32202 218.7
[M]- 445.32312 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe