CID 3023546

(2-(stearoylamino)ethoxy)acetic acid

Structural Information

Molecular Formula
C22H43NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O
InChI
InChI=1S/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-18-19-27-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)
InChIKey
ZWIYAJWMHYKEMP-UHFFFAOYSA-N
Compound name
2-[2-(octadecanoylamino)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.3192 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.326476 204.7
[M+Na]+ 408.308418 203.8
[M-H]- 384.311924 200.5
[M+NH4]+ 403.353023 212.9
[M+K]+ 424.282358 200.4
[M+H-H2O]+ 368.316460 196.5
[M+HCOO]- 430.317401 221.2
[M+CH3COO]- 444.333051 224.4
[M+Na-2H]- 406.293866 200.7
[M]+ 385.31865142 212.2
[M]- 385.31974858 212.2
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.