CID 5316465

Dehydro-gamma-sanshool

Structural Information

Molecular Formula
C18H25NO
SMILES
C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(=C)C
InChI
InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15H,2,10-11,16H2,1,3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKey
WNHIJVVUHZCVLZ-JDXPBYPHSA-N
Compound name
(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

271.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 171.6
[M+Na]+ 294.18282 175.1
[M-H]- 270.18632 170.2
[M+NH4]+ 289.22742 187.7
[M+K]+ 310.15676 168.8
[M+H-H2O]+ 254.19086 165.3
[M+HCOO]- 316.19180 192.2
[M+CH3COO]- 330.20745 201.7
[M+Na-2H]- 292.16827 170.2
[M]+ 271.19305 171.4
[M]- 271.19415 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe