CID 11447232

41010-68-8

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

COC1=CC=C(C=C1)NC2=C(C=CC=N2)N

InChI

InChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3,(H,14,15)

InChIKey

GAKVHRACPVAOAC-UHFFFAOYSA-N

Compound name

2-N-(4-methoxyphenyl)pyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4209
Patents: 215.10587 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]+	216.11315	146.2
[M+Na]+	238.09509	153.9
[M-H]-	214.09859	151.6
[M+NH4]+	233.13969	162.7
[M+K]+	254.06903	150.3
[M+H-H2O]+	198.10313	137.9
[M+HCOO]-	260.10407	171.7
[M+CH3COO]-	274.11972	192.2
[M+Na-2H]-	236.08054	153.9
[M]+	215.10532	144.9
[M]-	215.10642	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe