CID 129011063

Chebi:137009

Structural Information

Molecular Formula
C39H78NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-45-36-38(41)37-47-48(43,44)46-35-33-40-39(42)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38,41H,3-30,32-33,35-37H2,1-2H3,(H,40,42)(H,43,44)/b34-31-/t38-/m1/s1
InChIKey
NRZUNBGUEHDCKK-WBXWDXDJSA-N
Compound name
2-(hexadecanoylamino)ethyl [(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

703.5516 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.55888 278.1
[M+Na]+ 726.54082 279.4
[M-H]- 702.54432 266.1
[M+NH4]+ 721.58542 278.4
[M+K]+ 742.51476 281.0
[M+H-H2O]+ 686.54886 266.4
[M+HCOO]- 748.54980 278.9
[M+CH3COO]- 762.56545 281.6
[M+Na-2H]- 724.52627 255.5
[M]+ 703.55105 273.3
[M]- 703.55215 273.3
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.