CID 70698947

Cer(d15:2(4e,6e)/20:0)

Structural Information

Molecular Formula
C35H67NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/C=C/CCCCCCCC)O
InChI
InChI=1S/C35H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h24,26,28,30,33-34,37-38H,3-23,25,27,29,31-32H2,1-2H3,(H,36,39)/b26-24+,30-28+/t33-,34+/m0/s1
InChIKey
BPAMQEHLKCMFHK-QYQZFFDRSA-N
Compound name
N-[(2S,3R,4E,6E)-1,3-dihydroxypentadeca-4,6-dien-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.5121 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.51938 253.9
[M+Na]+ 572.50132 260.1
[M-H]- 548.50482 241.4
[M+NH4]+ 567.54592 251.3
[M+K]+ 588.47526 260.0
[M+H-H2O]+ 532.50936 251.4
[M+HCOO]- 594.51030 252.9
[M+CH3COO]- 608.52595 256.3
[M+Na-2H]- 570.48677 237.5
[M]+ 549.51155 249.1
[M]- 549.51265 249.1
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.