CID 131752556

5-(4-hydroxyphenyl)-2,4-pentadienoic acid piperidide

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1CCN(CC1)C(=O)/C=C/C=C\C2=CC=C(C=C2)O
InChI
InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+
InChIKey
QDAARMDLSCDBFU-MFDSWNTHSA-N
Compound name
(2E,4Z)-5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 162.1
[M+Na]+ 280.13079 165.9
[M-H]- 256.13429 164.6
[M+NH4]+ 275.17539 176.3
[M+K]+ 296.10473 160.9
[M+H-H2O]+ 240.13883 153.9
[M+HCOO]- 302.13977 178.7
[M+CH3COO]- 316.15542 190.7
[M+Na-2H]- 278.11624 163.7
[M]+ 257.14102 156.4
[M]- 257.14212 156.4
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