CID 134812308

Okoha-pc

Structural Information

Molecular Formula
C33H59NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(=O)/C=C/C=O
InChI
InChI=1S/C33H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32(37)41-28-31(44-33(38)24-23-30(36)21-20-26-35)29-43-45(39,40)42-27-25-34(2,3)4/h12-13,20-21,26,31H,5-11,14-19,22-25,27-29H2,1-4H3/p+1/b13-12-,21-20+/t31-/m1/s1
InChIKey
GDCLLOXIUNOPDF-VKBIKRCBSA-O
Compound name
2-[[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.38763 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.39491 256.1
[M+Na]+ 683.37685 260.7
[M-H]- 659.38035 258.2
[M+NH4]+ 678.42145 268.5
[M+K]+ 699.35079 258.8
[M+H-H2O]+ 643.38489 243.2
[M+HCOO]- 705.38583 264.3
[M+CH3COO]- 719.40148 263.8
[M+Na-2H]- 681.36230 240.0
[M]+ 660.38708 255.0
[M]- 660.38818 255.0
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.