CID 6454328

4-(1-(2-phenylethyl)-3-piperidinyl)-1,2-benzenediol (e)-2-butenedioate (1:1) (salt)

Structural Information

Molecular Formula
C19H23NO2
SMILES
C1CC(CN(C1)CCC2=CC=CC=C2)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H23NO2/c21-18-9-8-16(13-19(18)22)17-7-4-11-20(14-17)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17,21-22H,4,7,10-12,14H2
InChIKey
FZCFEVBBIDZXLO-UHFFFAOYSA-N
Compound name
4-[1-(2-phenylethyl)piperidin-3-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.6
[M+Na]+ 320.16210 187.7
[M+NH4]+ 315.20670 181.9
[M+K]+ 336.13604 179.3
[M-H]- 296.16560 179.2
[M+Na-2H]- 318.14755 182.2
[M]+ 297.17233 177.3
[M]- 297.17343 177.3
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