CID 6436945

Sodium-n-oleyl-p-anisidinesulfonate

Structural Information

Molecular Formula
C25H41NO5S
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)O
InChI
InChI=1S/C25H41NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-23-20-19-22(31-2)21-24(23)32(28,29)30/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,26,27)(H,28,29,30)/b11-10+
InChIKey
JJGUVAWIWNKTSS-ZHACJKMWSA-N
Compound name
5-methoxy-2-[[(E)-octadec-9-enoyl]amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

467.27054 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.27782 217.1
[M+Na]+ 490.25976 218.3
[M-H]- 466.26326 216.8
[M+NH4]+ 485.30436 224.7
[M+K]+ 506.23370 212.1
[M+H-H2O]+ 450.26780 208.3
[M+HCOO]- 512.26874 229.6
[M+CH3COO]- 526.28439 234.4
[M+Na-2H]- 488.24521 213.4
[M]+ 467.26999 225.8
[M]- 467.27109 225.8
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.