CID 21780

5588-11-4

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

CC1=CC=C(N1NC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C12H13N3O/c1-9-3-4-10(2)15(9)14-12(16)11-5-7-13-8-6-11/h3-8H,1-2H3,(H,14,16)

InChIKey

BZSIVBPSSDJJOL-UHFFFAOYSA-N

Compound name

N-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 215.10587 Da
Monoisotopic Mass: 1.7
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]+	216.11315	148.3
[M+Na]+	238.09509	160.9
[M+NH4]+	233.13969	155.8
[M+K]+	254.06903	156.5
[M-H]-	214.09859	151.2
[M+Na-2H]-	236.08054	156.1
[M]+	215.10532	150.7
[M]-	215.10642	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.