CID 9954768

Sdz-cpi-975

Structural Information

Molecular Formula
C21H45NO6P
SMILES
CCCCCCCCCCCCCCOP(=O)(O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C21H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-29(25,26)28-20(18-21(23)24)19-22(2,3)4/h20H,5-19H2,1-4H3,(H-,23,24,25,26)/p+1/t20-/m1/s1
InChIKey
HSNUXANXVHLGQT-HXUWFJFHSA-O
Compound name
[(2R)-3-carboxy-2-[hydroxy(tetradecoxy)phosphoryl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

130
Patents

438.29846 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.30574 212.6
[M+Na]+ 461.28768 216.7
[M-H]- 437.29118 209.3
[M+NH4]+ 456.33228 215.4
[M+K]+ 477.26162 211.3
[M+H-H2O]+ 421.29572 198.0
[M+HCOO]- 483.29666 225.4
[M+CH3COO]- 497.31231 226.3
[M+Na-2H]- 459.27313 198.9
[M]+ 438.29791 209.3
[M]- 438.29901 209.3
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