CID 16775805

N2-methyl-n2-phenylpyridine-2,5-diamine

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

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

InChI

InChI=1S/C12H13N3/c1-15(11-5-3-2-4-6-11)12-8-7-10(13)9-14-12/h2-9H,13H2,1H3

InChIKey

LFKITGZYAOJNQV-UHFFFAOYSA-N

Compound name

2-N-methyl-2-N-phenylpyridine-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.11095 Da
Monoisotopic Mass: 2.2
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]+	200.11823	144.0
[M+Na]+	222.10017	157.9
[M+NH4]+	217.14477	153.2
[M+K]+	238.07411	150.5
[M-H]-	198.10367	150.0
[M+Na-2H]-	220.08562	154.8
[M]+	199.11040	147.7
[M]-	199.11150	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe