CID 453671

Octadecyl-n-me-cephalin

Structural Information

Molecular Formula
C21H46NO4P
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCNC
InChI
InChI=1S/C21H46NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22-2/h22H,3-21H2,1-2H3,(H,23,24)
InChIKey
ZBYQFESJGWCDLT-UHFFFAOYSA-N
Compound name
2-(methylamino)ethyl octadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

407.31644 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.32372 213.8
[M+Na]+ 430.30566 220.2
[M-H]- 406.30916 204.1
[M+NH4]+ 425.35026 212.4
[M+K]+ 446.27960 209.9
[M+H-H2O]+ 390.31370 203.6
[M+HCOO]- 452.31464 227.8
[M+CH3COO]- 466.33029 229.0
[M+Na-2H]- 428.29111 210.2
[M]+ 407.31589 211.5
[M]- 407.31699 211.5
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