CID 146014788

All-trans-hexaprenyl phosphate

Structural Information

Molecular Formula
C30H51O4P
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C30H51O4P/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-34-35(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+
InChIKey
YTOYOTOIGWLULD-MMSZMYIBSA-N
Compound name
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.3525 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.35978 224.1
[M+Na]+ 529.34172 228.5
[M+NH4]+ 524.38632 228.6
[M+K]+ 545.31566 226.0
[M-H]- 505.34522 219.5
[M+Na-2H]- 527.32717 228.6
[M]+ 506.35195 223.6
[M]- 506.35305 223.6
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.