CID 80318

6179-44-8

Structural Information

Molecular Formula
C25H51N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C25H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h4-23H2,1-3H3,(H-,26,28,29,30)/p+1
InChIKey
QVRMIJZFODZFNE-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1494
Patents

427.38995 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.39723 225.5
[M+Na]+ 450.37917 229.5
[M+NH4]+ 445.42377 198.1
[M+K]+ 466.35311 195.3
[M-H]- 426.38267 187.9
[M+Na-2H]- 448.36462 212.3
[M]+ 427.38940 225.1
[M]- 427.39050 225.1
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