CID 101749186

2-aminoethyl [3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecyl] hydrogen phosphate

Structural Information

Molecular Formula
C34H71N2O6P
SMILES
CC(C)CCCCCCCCCCCC(C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C34H71N2O6P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-33(37)32(29-42-43(39,40)41-28-27-35)36-34(38)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-33,37H,5-29,35H2,1-4H3,(H,36,38)(H,39,40)
InChIKey
RWVLYQHMMCZLKM-UHFFFAOYSA-N
Compound name
2-aminoethyl [3-hydroxy-15-methyl-2-(13-methyltetradecanoylamino)hexadecyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.505 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.51228 257.6
[M+Na]+ 657.49422 262.1
[M-H]- 633.49772 252.5
[M+NH4]+ 652.53882 259.8
[M+K]+ 673.46816 262.6
[M+H-H2O]+ 617.50226 246.7
[M+HCOO]- 679.50320 249.7
[M+CH3COO]- 693.51885 274.3
[M+Na-2H]- 655.47967 238.8
[M]+ 634.50445 249.9
[M]- 634.50555 249.9
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.