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]+ 456.30846 215.1
[M+Na]+ 478.29040 218.9
[M-H]- 454.29390 209.7
[M+NH4]+ 473.33500 215.9
[M+K]+ 494.26434 214.2
[M+H-H2O]+ 438.29844 205.7
[M+HCOO]- 500.29938 218.4
[M+CH3COO]- 514.31503 234.2
[M+Na-2H]- 476.27585 200.1
[M]+ 455.30063 210.0
[M]- 455.30173 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.