CID 1516177

4-(1h-pyrrol-1-yl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C11H10N2O/c12-11(14)9-3-5-10(6-4-9)13-7-1-2-8-13/h1-8H,(H2,12,14)

InChIKey

RUVGWFCTTWSCRR-UHFFFAOYSA-N

Compound name

4-pyrrol-1-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 186.07932 Da
Monoisotopic Mass: 2.0
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]+	187.086596	138.7
[M+Na]+	209.068538	146.6
[M-H]-	185.072044	144.1
[M+NH4]+	204.113143	158.1
[M+K]+	225.042478	143.5
[M+H-H2O]+	169.076580	131.3
[M+HCOO]-	231.077521	163.5
[M+CH3COO]-	245.093171	182.8
[M+Na-2H]-	207.053986	143.4
[M]+	186.07877142	136.8
[M]-	186.07986858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe