CID 132159243

P-hydroxy-emdp

Structural Information

Molecular Formula

C₁₉H₂₁NO

SMILES

CCC1=NC(CC1(C2=CC=CC=C2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C19H21NO/c1-3-18-19(13-14(2)20-18,15-7-5-4-6-8-15)16-9-11-17(21)12-10-16/h4-12,14,21H,3,13H2,1-2H3

InChIKey

YNMOPHDZFBDHMW-UHFFFAOYSA-N

Compound name

4-(5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-4-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 279.16232 Da
Monoisotopic Mass: 3.7
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]+	280.16960	166.6
[M+Na]+	302.15154	174.7
[M-H]-	278.15504	174.2
[M+NH4]+	297.19614	184.4
[M+K]+	318.12548	169.0
[M+H-H2O]+	262.15958	158.4
[M+HCOO]-	324.16052	187.6
[M+CH3COO]-	338.17617	178.4
[M+Na-2H]-	300.13699	169.1
[M]+	279.16177	165.7
[M]-	279.16287	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe