CID 71465861

Isostearamidopropyl betaine

Structural Information

Molecular Formula
C25H51N2O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C25H50N2O3/c1-23(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(28)26-20-17-21-27(3,4)22-25(29)30/h23H,5-22H2,1-4H3,(H-,26,28,29,30)/p+1
InChIKey
LMVGXBRDRZOPHA-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4228
Patents

427.38995 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.39723 232.3
[M+Na]+ 450.37917 240.9
[M-H]- 426.38267 228.2
[M+NH4]+ 445.42377 233.9
[M+K]+ 466.35311 236.0
[M+H-H2O]+ 410.38721 225.8
[M+HCOO]- 472.38815 239.6
[M+CH3COO]- 486.40380 232.6
[M+Na-2H]- 448.36462 220.3
[M]+ 427.38940 228.8
[M]- 427.39050 228.8
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.