CID 137323914

1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H46NO7P
SMILES
CC(C)CCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C21H46NO7P/c1-19(2)12-10-8-6-4-5-7-9-11-13-21(26-3)18-27-16-20(23)17-29-30(24,25)28-15-14-22/h19-21,23H,4-18,22H2,1-3H3,(H,24,25)/t20-,21?/m1/s1
InChIKey
VVIJTQGRSFRVAZ-VQCQRNETSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxy-13-methyltetradecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.30118 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.308456 215.1
[M+Na]+ 478.290398 218.9
[M-H]- 454.293904 209.7
[M+NH4]+ 473.335003 215.9
[M+K]+ 494.264338 214.2
[M+H-H2O]+ 438.298440 205.7
[M+HCOO]- 500.299381 218.4
[M+CH3COO]- 514.315031 234.2
[M+Na-2H]- 476.275846 200.1
[M]+ 455.30063142 210.0
[M]- 455.30172858 210.0
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.