CID 139291746

Chebi:145179

Structural Information

Molecular Formula
C35H72NO7P
SMILES
CC(C)CCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C35H72NO7P/c1-32(2)24-20-16-12-8-5-6-11-15-19-23-28-40-30-34(31-42-44(38,39)41-29-27-36)43-35(37)26-22-18-14-10-7-9-13-17-21-25-33(3)4/h32-34H,5-31,36H2,1-4H3,(H,38,39)/t34-/m1/s1
InChIKey
MVNNGAYHEUJLNG-UUWRZZSWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(13-methyltetradecoxy)propan-2-yl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

649.50464 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.51192 262.2
[M+Na]+ 672.49386 265.7
[M-H]- 648.49736 254.2
[M+NH4]+ 667.53846 266.9
[M+K]+ 688.46780 266.8
[M+H-H2O]+ 632.50190 253.0
[M+HCOO]- 694.50284 260.1
[M+CH3COO]- 708.51849 275.0
[M+Na-2H]- 670.47931 243.0
[M]+ 649.50409 258.5
[M]- 649.50519 258.5
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.