CID 5744298

94166-63-9

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

COC1=NC(=C(C=C1)N)NC2=CC=CC=C2

InChI

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

InChIKey

ATFIVLKHEYEYDI-UHFFFAOYSA-N

Compound name

6-methoxy-2-N-phenylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 215.10587 Da
Monoisotopic Mass: 2.4
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]+	216.113146	146.2
[M+Na]+	238.095088	153.9
[M-H]-	214.098594	151.6
[M+NH4]+	233.139693	162.7
[M+K]+	254.069028	150.3
[M+H-H2O]+	198.103130	137.9
[M+HCOO]-	260.104071	171.7
[M+CH3COO]-	274.119721	192.2
[M+Na-2H]-	236.080536	153.9
[M]+	215.10532142	144.9
[M]-	215.10641858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe