CID 6442577

Norcapsaicin

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC(C)/C=C/CCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+
InChIKey
UTNZMGHHFHHIAY-FNORWQNLSA-N
Compound name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

280
Patents

291.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 172.5
[M+Na]+ 314.172658 177.0
[M-H]- 290.176164 174.0
[M+NH4]+ 309.217263 187.2
[M+K]+ 330.146598 173.7
[M+H-H2O]+ 274.180700 165.4
[M+HCOO]- 336.181641 192.9
[M+CH3COO]- 350.197291 204.9
[M+Na-2H]- 312.158106 172.3
[M]+ 291.18289142 174.9
[M]- 291.18398858 174.9
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

patents stripe