CID 19574

2-hydroxyethyldimethyl-3-stearamidopropylammonium phosphate

Structural Information

Molecular Formula
C25H53N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
InChI
InChI=1S/C25H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28/h28H,4-24H2,1-3H3/p+1
InChIKey
WYRIQSJBDPBLDQ-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

770
Patents

413.4107 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.41798 214.7
[M+Na]+ 436.39992 245.7
[M-H]- 412.40342 229.6
[M+NH4]+ 431.44452 235.5
[M+K]+ 452.37386 203.1
[M+H-H2O]+ 396.40796 209.3
[M+HCOO]- 458.40890 249.2
[M+CH3COO]- 472.42455 230.5
[M+Na-2H]- 434.38537 214.5
[M]+ 413.41015 234.9
[M]- 413.41125 234.9
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