CID 101749185

2-aminoethyl [3-hydroxy-2-[(2-hydroxy-13-methyltetradecanoyl)amino]-15-methylhexadecyl] hydrogen phosphate

Structural Information

Molecular Formula
C34H71N2O7P
SMILES
CC(C)CCCCCCCCCCCC(C(COP(=O)(O)OCCN)NC(=O)C(CCCCCCCCCCC(C)C)O)O
InChI
InChI=1S/C34H71N2O7P/c1-29(2)22-18-14-10-6-5-7-12-16-20-24-32(37)31(28-43-44(40,41)42-27-26-35)36-34(39)33(38)25-21-17-13-9-8-11-15-19-23-30(3)4/h29-33,37-38H,5-28,35H2,1-4H3,(H,36,39)(H,40,41)
InChIKey
MEUMWJBMAAHUNX-UHFFFAOYSA-N
Compound name
2-aminoethyl [3-hydroxy-2-[(2-hydroxy-13-methyltetradecanoyl)amino]-15-methylhexadecyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.4999 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.50718 257.1
[M+Na]+ 673.48912 260.5
[M-H]- 649.49262 253.5
[M+NH4]+ 668.53372 259.2
[M+K]+ 689.46306 261.5
[M+H-H2O]+ 633.49716 245.6
[M+HCOO]- 695.49810 245.1
[M+CH3COO]- 709.51375 274.7
[M+Na-2H]- 671.47457 238.0
[M]+ 650.49935 248.9
[M]- 650.50045 248.9
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.