CID 137323929

1-(2-methoxy-16z-tricosenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C29H60NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C29H60NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(34-2)27-35-25-28(31)26-37-38(32,33)36-24-23-30/h8-9,28-29,31H,3-7,10-27,30H2,1-2H3,(H,32,33)/b9-8-/t28-,29?/m1/s1
InChIKey
PGVWCIIYGSVLDH-ZWZVMXJGSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxytricos-16-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.41077 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.41805 241.9
[M+Na]+ 588.39999 244.3
[M-H]- 564.40349 232.6
[M+NH4]+ 583.44459 241.2
[M+K]+ 604.37393 241.9
[M+H-H2O]+ 548.40803 230.9
[M+HCOO]- 610.40897 245.1
[M+CH3COO]- 624.42462 254.8
[M+Na-2H]- 586.38544 223.1
[M]+ 565.41022 236.1
[M]- 565.41132 236.1
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.