CID 131752910

Dihydroferuperine

Structural Information

Molecular Formula
C17H23NO3
SMILES
COC1=CC(=CCC1O)/C=C\C=C\C(=O)N2CCCCC2
InChI
InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+
InChIKey
PUYWOMGLUNDEFM-KYPMKJFLSA-N
Compound name
(2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

289.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 171.5
[M+Na]+ 312.15702 181.5
[M+NH4]+ 307.20162 177.6
[M+K]+ 328.13096 174.9
[M-H]- 288.16052 173.0
[M+Na-2H]- 310.14247 175.3
[M]+ 289.16725 173.0
[M]- 289.16835 173.0
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