CID 49844193

Chebi:213863

Structural Information

Molecular Formula
C28H40N2O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)30-23-27(31)25-22-29-26-20-18-17-19-24(25)26/h6-7,9-10,17-20,22,29H,2-5,8,11-16,21,23H2,1H3,(H,30,32)/b7-6-,10-9-
InChIKey
FBHNNWNMUWXJQO-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N-[2-(1H-indol-3-yl)-2-oxoethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.309 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.31628 217.5
[M+Na]+ 459.29822 218.9
[M-H]- 435.30172 216.7
[M+NH4]+ 454.34282 227.2
[M+K]+ 475.27216 210.4
[M+H-H2O]+ 419.30626 207.8
[M+HCOO]- 481.30720 234.9
[M+CH3COO]- 495.32285 231.8
[M+Na-2H]- 457.28367 214.0
[M]+ 436.30845 221.6
[M]- 436.30955 221.6
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.