CID 131752909

Feruperine

Structural Information

Molecular Formula
C17H21NO3
SMILES
COC1=C(C=CC(=C1)/C=C\C=C\C(=O)N2CCCCC2)O
InChI
InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+
InChIKey
IUGIGWWOEYFTDM-KYPMKJFLSA-N
Compound name
(2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

287.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 169.2
[M+Na]+ 310.14135 173.5
[M-H]- 286.14485 172.0
[M+NH4]+ 305.18595 182.5
[M+K]+ 326.11529 168.9
[M+H-H2O]+ 270.14939 160.8
[M+HCOO]- 332.15033 185.7
[M+CH3COO]- 346.16598 197.1
[M+Na-2H]- 308.12680 169.7
[M]+ 287.15158 165.8
[M]- 287.15268 165.8
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