CID 137323922

1-(2-methoxy-6z-heptadecenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C23H48NO7P
SMILES
CCCCCCCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(28-2)21-29-19-22(25)20-31-32(26,27)30-18-17-24/h12-13,22-23,25H,3-11,14-21,24H2,1-2H3,(H,26,27)/b13-12-/t22-,23?/m1/s1
InChIKey
YYSFNFUXDNVHFT-FXNZLJTDSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxyheptadec-6-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.31683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.32411 220.7
[M+Na]+ 504.30605 224.3
[M-H]- 480.30955 213.8
[M+NH4]+ 499.35065 220.2
[M+K]+ 520.27999 219.4
[M+H-H2O]+ 464.31409 210.5
[M+HCOO]- 526.31503 226.4
[M+CH3COO]- 540.33068 237.8
[M+Na-2H]- 502.29150 204.6
[M]+ 481.31628 215.1
[M]- 481.31738 215.1
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.