CID 171120944

Pe(14:0(12me[s])/14:0(13me))

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CC[C@H](C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C35H70NO8P/c1-5-32(4)24-20-16-12-9-10-13-17-21-25-34(37)41-29-33(30-43-45(39,40)42-28-27-36)44-35(38)26-22-18-14-8-6-7-11-15-19-23-31(2)3/h31-33H,5-30,36H2,1-4H3,(H,39,40)/t32-,33+/m0/s1
InChIKey
LVZWYATVJUCCPG-JHOUSYSJSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(13-methyltetradecanoyloxy)propyl] (12S)-12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.4839 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.49118 262.7
[M+Na]+ 686.47312 266.8
[M-H]- 662.47662 257.6
[M+NH4]+ 681.51772 270.1
[M+K]+ 702.44706 267.8
[M+H-H2O]+ 646.48116 254.3
[M+HCOO]- 708.48210 258.9
[M+CH3COO]- 722.49775 276.1
[M+Na-2H]- 684.45857 244.3
[M]+ 663.48335 259.6
[M]- 663.48445 259.6
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.