CID 137323932

1-(2-methoxy-17z-tetracosenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C30H62NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C30H62NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(35-2)28-36-26-29(32)27-38-39(33,34)37-25-24-31/h8-9,29-30,32H,3-7,10-28,31H2,1-2H3,(H,33,34)/b9-8-/t29-,30?/m1/s1
InChIKey
UUJZEXPVLNQBJA-QYOUFUSSSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxytetracos-17-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.4264 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.43368 245.3
[M+Na]+ 602.41562 247.6
[M-H]- 578.41912 235.7
[M+NH4]+ 597.46022 244.6
[M+K]+ 618.38956 245.6
[M+H-H2O]+ 562.42366 234.2
[M+HCOO]- 624.42460 248.2
[M+CH3COO]- 638.44025 257.6
[M+Na-2H]- 600.40107 226.1
[M]+ 579.42585 239.5
[M]- 579.42695 239.5
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.