CID 129011065

Chebi:137010

Structural Information

Molecular Formula
C41H80NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-47-38-40(43)39-49-50(45,46)48-37-35-42-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,36,40,43H,3-17,19,21-32,34-35,37-39H2,1-2H3,(H,42,44)(H,45,46)/b20-18-,36-33-/t40-/m1/s1
InChIKey
UIBLEFROXMSMHK-QZEVRULJSA-N
Compound name
[(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] 2-[[(Z)-octadec-9-enoyl]amino]ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

729.56726 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.57454 282.2
[M+Na]+ 752.55648 283.8
[M-H]- 728.55998 270.3
[M+NH4]+ 747.60108 282.8
[M+K]+ 768.53042 285.8
[M+H-H2O]+ 712.56452 270.4
[M+HCOO]- 774.56546 283.1
[M+CH3COO]- 788.58111 285.7
[M+Na-2H]- 750.54193 259.3
[M]+ 729.56671 277.4
[M]- 729.56781 277.4
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.