CID 31992

N-(2,5-dimethoxyphenyl)isonicotinamidine

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

COC1=CC(=C(C=C1)OC)N=C(C2=CC=NC=C2)N

InChI

InChI=1S/C14H15N3O2/c1-18-11-3-4-13(19-2)12(9-11)17-14(15)10-5-7-16-8-6-10/h3-9H,1-2H3,(H2,15,17)

InChIKey

CPWOXKAVRFQOTE-UHFFFAOYSA-N

Compound name

N'-(2,5-dimethoxyphenyl)pyridine-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 Da
Monoisotopic Mass: 1.5
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]+	258.123696	158.1
[M+Na]+	280.105638	165.2
[M-H]-	256.109144	164.6
[M+NH4]+	275.150243	173.3
[M+K]+	296.079578	162.6
[M+H-H2O]+	240.113680	148.9
[M+HCOO]-	302.114621	183.7
[M+CH3COO]-	316.130271	202.2
[M+Na-2H]-	278.091086	163.8
[M]+	257.11587142	159.3
[M]-	257.11696858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.