CID 3689

Ifenprodil

Structural Information

Molecular Formula

C₂₁H₂₇NO₂

SMILES

CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3

InChIKey

UYNVMODNBIQBMV-UHFFFAOYSA-N

Compound name

4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 969
References: 8705
Patents: 325.2042 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.21148	180.3
[M+Na]+	348.19342	182.2
[M-H]-	324.19692	184.4
[M+NH4]+	343.23802	190.6
[M+K]+	364.16736	177.0
[M+H-H2O]+	308.20146	170.7
[M+HCOO]-	370.20240	193.3
[M+CH3COO]-	384.21805	205.7
[M+Na-2H]-	346.17887	179.5
[M]+	325.20365	174.0
[M]-	325.20475	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe