CID 3015331

26878-30-8

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

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

InChI

InChI=1S/C11H11N3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2,(H,13,14)

InChIKey

NDNQUJQOJSNZGA-UHFFFAOYSA-N

Compound name

2-N-phenylpyridine-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 185.09529 Da
Monoisotopic Mass: 2.1
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]+	186.102566	137.9
[M+Na]+	208.084508	145.2
[M-H]-	184.088014	143.1
[M+NH4]+	203.129113	155.4
[M+K]+	224.058448	141.2
[M+H-H2O]+	168.092550	129.9
[M+HCOO]-	230.093491	163.5
[M+CH3COO]-	244.109141	150.9
[M+Na-2H]-	206.069956	147.0
[M]+	185.09474142	134.5
[M]-	185.09583858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe