CID 9547070

1-myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C19H40NO7P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)/t18-/m1/s1
InChIKey
RPXHXZNGZBHSMJ-GOSISDBHSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

189
Patents

425.25424 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.26152 206.2
[M+Na]+ 448.24346 210.5
[M-H]- 424.24696 200.9
[M+NH4]+ 443.28806 205.9
[M+K]+ 464.21740 203.9
[M+H-H2O]+ 408.25150 196.5
[M+HCOO]- 470.25244 213.6
[M+CH3COO]- 484.26809 226.2
[M+Na-2H]- 446.22891 192.0
[M]+ 425.25369 200.8
[M]- 425.25479 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe