CID 156960898

Hdloynmdvjlgbf-dgkvblmesa-n

Structural Information

Molecular Formula
C39H70O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37,40H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-/m0/s1
InChIKey
HDLOYNMDVJLGBF-DGKVBLMESA-N
Compound name
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.52234 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.52962 262.6
[M+Na]+ 641.51156 264.1
[M+NH4]+ 636.55616 263.1
[M+K]+ 657.48550 264.2
[M-H]- 617.51506 249.1
[M+Na-2H]- 639.49701 261.6
[M]+ 618.52179 259.3
[M]- 618.52289 259.3
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.