CID 76835061

P-hydroxy-eddp

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H23NO/c1-4-19-20(14-15(2)21(19)3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h4-13,15,22H,14H2,1-3H3

InChIKey

AHZRXKZJSOCCNO-UHFFFAOYSA-N

Compound name

4-(2-ethylidene-1,5-dimethyl-3-phenylpyrrolidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 293.17798 Da
Monoisotopic Mass: 4.8
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]+	294.18526	171.1
[M+Na]+	316.16720	179.1
[M-H]-	292.17070	178.6
[M+NH4]+	311.21180	188.6
[M+K]+	332.14114	172.8
[M+H-H2O]+	276.17524	163.1
[M+HCOO]-	338.17618	190.5
[M+CH3COO]-	352.19183	182.5
[M+Na-2H]-	314.15265	171.5
[M]+	293.17743	168.9
[M]-	293.17853	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe