CID 3017486

Trieicosyl phosphate

Structural Information

Molecular Formula
C23H49O4P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C23H49O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-28(24,25)26/h2-23H2,1H3,(H2,24,25,26)
InChIKey
GTBVJMPLFBELEF-UHFFFAOYSA-N
Compound name
tricosyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

420.33685 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.34413 212.0
[M+Na]+ 443.32607 214.7
[M-H]- 419.32957 197.6
[M+NH4]+ 438.37067 207.8
[M+K]+ 459.30001 215.5
[M+H-H2O]+ 403.33411 211.3
[M+HCOO]- 465.33505 224.3
[M+CH3COO]- 479.35070 227.3
[M+Na-2H]- 441.31152 215.5
[M]+ 420.33630 209.4
[M]- 420.33740 209.4
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

patents stripe