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

9
Patents

287.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 169.2
[M+Na]+ 310.141348 173.5
[M-H]- 286.144854 172.0
[M+NH4]+ 305.185953 182.5
[M+K]+ 326.115288 168.9
[M+H-H2O]+ 270.149390 160.8
[M+HCOO]- 332.150331 185.7
[M+CH3COO]- 346.165981 197.1
[M+Na-2H]- 308.126796 169.7
[M]+ 287.15158142 165.8
[M]- 287.15267858 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