CID 3021957

N-(chlorophenyl)-2-(4-(2,5-dimethyl-1h-pyrrol-1-yl)phenoxy)propanamide

Structural Information

Molecular Formula

C₂₁H₂₁ClN₂O₂

SMILES

CC1=CC=C(N1C2=CC=C(C=C2)OC(C)C(=O)NC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H21ClN2O2/c1-14-8-9-15(2)24(14)17-10-12-18(13-11-17)26-16(3)21(25)23-20-7-5-4-6-19(20)22/h4-13,16H,1-3H3,(H,23,25)

InChIKey

OSCVNJQHWSOFQQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.12915 Da
Monoisotopic Mass: 5.0
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]+	369.136426	188.6
[M+Na]+	391.118368	196.5
[M-H]-	367.121874	197.5
[M+NH4]+	386.162973	202.0
[M+K]+	407.092308	190.3
[M+H-H2O]+	351.126410	179.7
[M+HCOO]-	413.127351	206.4
[M+CH3COO]-	427.143001	218.7
[M+Na-2H]-	389.103816	187.5
[M]+	368.12860142	192.9
[M]-	368.12969858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.