CID 137323916

1-(2-methoxy-pentadecanyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H46NO7P
SMILES
CCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C21H46NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(26-2)19-27-17-20(23)18-29-30(24,25)28-16-15-22/h20-21,23H,3-19,22H2,1-2H3,(H,24,25)/t20-,21?/m1/s1
InChIKey
CWYHNZNPBWWOGG-VQCQRNETSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxypentadecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.30118 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.30846 216.0
[M+Na]+ 478.29040 219.3
[M-H]- 454.29390 209.0
[M+NH4]+ 473.33500 215.2
[M+K]+ 494.26434 214.0
[M+H-H2O]+ 438.29844 205.9
[M+HCOO]- 500.29938 221.6
[M+CH3COO]- 514.31503 233.4
[M+Na-2H]- 476.27585 200.2
[M]+ 455.30063 210.6
[M]- 455.30173 210.6
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.