CID 137323938

1-(2-methoxy-21z-octacosenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C34H70NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C34H70NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34(39-2)32-40-30-33(36)31-42-43(37,38)41-29-28-35/h8-9,33-34,36H,3-7,10-32,35H2,1-2H3,(H,37,38)/b9-8-/t33-,34?/m1/s1
InChIKey
AGSQYSOGGODQJI-WLIBRNLSSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxyoctacos-21-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.489 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.49628 258.9
[M+Na]+ 658.47822 260.4
[M-H]- 634.48172 247.7
[M+NH4]+ 653.52282 258.1
[M+K]+ 674.45216 260.1
[M+H-H2O]+ 618.48626 247.4
[M+HCOO]- 680.48720 260.2
[M+CH3COO]- 694.50285 268.8
[M+Na-2H]- 656.46367 238.0
[M]+ 635.48845 253.2
[M]- 635.48955 253.2
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.