CID 361654

163751-35-7

Structural Information

Molecular Formula
C25H54N2O6P
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OC
InChI
InChI=1S/C25H53N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-22-24(31-5)23-33-34(29,30)32-21-20-27(2,3)4/h24H,6-23H2,1-5H3,(H-,26,28,29,30)/p+1
InChIKey
GLZQVYDFXUECNY-UHFFFAOYSA-O
Compound name
2-[[3-(hexadecanoylamino)-2-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

509.37195 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.37923 237.4
[M+Na]+ 532.36117 242.6
[M-H]- 508.36467 235.2
[M+NH4]+ 527.40577 241.3
[M+K]+ 548.33511 237.7
[M+H-H2O]+ 492.36921 222.2
[M+HCOO]- 554.37015 248.2
[M+CH3COO]- 568.38580 244.7
[M+Na-2H]- 530.34662 221.6
[M]+ 509.37140 232.4
[M]- 509.37250 232.4
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