CID 86014175

Schembl233312

Structural Information

Molecular Formula
C28H57NO4S
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChI
InChI=1S/C28H57NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(30)29-26-27-34(31,32)33/h2-27H2,1H3,(H,29,30)(H,31,32,33)
InChIKey
QVKUZTHWSCSMAZ-UHFFFAOYSA-N
Compound name
2-(hexacosanoylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

503.40082 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.40810 240.4
[M+Na]+ 526.39004 244.6
[M-H]- 502.39354 227.0
[M+NH4]+ 521.43464 238.2
[M+K]+ 542.36398 243.4
[M+H-H2O]+ 486.39808 223.7
[M+HCOO]- 548.39902 247.6
[M+CH3COO]- 562.41467 244.2
[M+Na-2H]- 524.37549 224.5
[M]+ 503.40027 239.9
[M]- 503.40137 239.9
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