CID 137323918

1-(2-methoxy-13-methyl-pentadecanyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C22H48NO7P
SMILES
CCC(C)CCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C22H48NO7P/c1-4-20(2)13-11-9-7-5-6-8-10-12-14-22(27-3)19-28-17-21(24)18-30-31(25,26)29-16-15-23/h20-22,24H,4-19,23H2,1-3H3,(H,25,26)/t20?,21-,22?/m1/s1
InChIKey
VWJBLSDBQLCHGA-ATKRNPRHSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxy-13-methylpentadecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.31683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.32411 218.8
[M+Na]+ 492.30605 222.4
[M-H]- 468.30955 212.9
[M+NH4]+ 487.35065 219.5
[M+K]+ 508.27999 218.0
[M+H-H2O]+ 452.31409 209.2
[M+HCOO]- 514.31503 221.6
[M+CH3COO]- 528.33068 237.1
[M+Na-2H]- 490.29150 203.2
[M]+ 469.31628 213.5
[M]- 469.31738 213.5
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

No patent data available for this compound.