CID 3021959

Brn 5578633

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃

SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OC(C)C(=O)NO)C

InChI

InChI=1S/C15H18N2O3/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)20-12(3)15(18)16-19/h4-9,12,19H,1-3H3,(H,16,18)

InChIKey

JOUDQKUCEBHEFQ-UHFFFAOYSA-N

Compound name

2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.13174 Da
Monoisotopic Mass: 2.3
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]+	275.139016	163.2
[M+Na]+	297.120958	170.2
[M-H]-	273.124464	168.0
[M+NH4]+	292.165563	179.1
[M+K]+	313.094898	167.5
[M+H-H2O]+	257.129000	155.6
[M+HCOO]-	319.129941	185.1
[M+CH3COO]-	333.145591	199.9
[M+Na-2H]-	295.106406	163.8
[M]+	274.13119142	164.8
[M]-	274.13228858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe