CID 137323937

1-(2-methoxy-20z-heptacosaenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C33H68NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C33H68NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(38-2)31-39-29-32(35)30-41-42(36,37)40-28-27-34/h8-9,32-33,35H,3-7,10-31,34H2,1-2H3,(H,36,37)/b9-8-/t32-,33?/m1/s1
InChIKey
WIKANZJYBXHIHC-BANPELPWSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxyheptacos-20-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.4733 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.48058 255.6
[M+Na]+ 644.46252 257.3
[M-H]- 620.46602 244.7
[M+NH4]+ 639.50712 254.7
[M+K]+ 660.43646 256.5
[M+H-H2O]+ 604.47056 244.1
[M+HCOO]- 666.47150 257.2
[M+CH3COO]- 680.48715 266.0
[M+Na-2H]- 642.44797 235.0
[M]+ 621.47275 249.8
[M]- 621.47385 249.8
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.