CID 137323913

1-(2-methoxy-13-methyl-6z-tetradecenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H44NO7P
SMILES
CC(C)CCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C21H44NO7P/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/h5,7,19-21,23H,4,6,8-18,22H2,1-3H3,(H,24,25)/b7-5-/t20-,21?/m1/s1
InChIKey
QTRKEVCYNOOTGW-DLVKHCPNSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxy-13-methyltetradec-6-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.28555 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.29283 212.7
[M+Na]+ 476.27477 217.1
[M-H]- 452.27827 208.1
[M+NH4]+ 471.31937 213.8
[M+K]+ 492.24871 211.9
[M+H-H2O]+ 436.28281 203.3
[M+HCOO]- 498.28375 216.9
[M+CH3COO]- 512.29940 232.8
[M+Na-2H]- 474.26022 198.2
[M]+ 453.28500 207.3
[M]- 453.28610 207.3
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.