CID 171119592

Cerp(d18:1/16:0[2oh])

Structural Information

Molecular Formula
C34H68NO7P
SMILES
CCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(36)31(30-42-43(39,40)41)35-34(38)33(37)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-37H,3-25,27,29-30H2,1-2H3,(H,35,38)(H2,39,40,41)/b28-26+/t31-,32+,33?/m0/s1
InChIKey
FIEVMAGWIQBIIH-HOXYDHSRSA-N
Compound name
[(E,2S,3R)-3-hydroxy-2-(2-hydroxyhexadecanoylamino)octadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.4733 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.48058 255.6
[M+Na]+ 656.46252 256.8
[M-H]- 632.46602 247.8
[M+NH4]+ 651.50712 254.6
[M+K]+ 672.43646 257.5
[M+H-H2O]+ 616.47056 243.3
[M+HCOO]- 678.47150 250.2
[M+CH3COO]- 692.48715 265.0
[M+Na-2H]- 654.44797 235.2
[M]+ 633.47275 248.6
[M]- 633.47385 248.6
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.