CID 134812312

Ohoha-pc

Structural Information

Molecular Formula
C33H61NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(/C=C/C=O)O
InChI
InChI=1S/C33H60NO10P/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/h12-13,20-21,26,30-31,36H,5-11,14-19,22-25,27-29H2,1-4H3/p+1/b13-12-,21-20+/t30?,31-/m1/s1
InChIKey
VIHIBPOYYZRFIB-VIRDTXNUSA-O
Compound name
2-[hydroxy-[(2R)-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.4033 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.41058 255.9
[M+Na]+ 685.39252 258.9
[M-H]- 661.39602 256.8
[M+NH4]+ 680.43712 265.7
[M+K]+ 701.36646 257.4
[M+H-H2O]+ 645.40056 241.7
[M+HCOO]- 707.40150 261.7
[M+CH3COO]- 721.41715 262.5
[M+Na-2H]- 683.37797 238.6
[M]+ 662.40275 253.6
[M]- 662.40385 253.6
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.