CID 5370890

Paphy

Structural Information

Molecular Formula

C₁₁H₁₀N₄

SMILES

C1=CC=NC(=C1)/C=N\NC2=CC=CC=N2

InChI

InChI=1S/C11H10N4/c1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13-11/h1-9H,(H,13,15)/b14-9-

InChIKey

KYDLWVBNCQERCD-ZROIWOOFSA-N

Compound name

N-[(Z)-pyridin-2-ylmethylideneamino]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 50
Patents: 198.09055 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]+	199.097826	140.7
[M+Na]+	221.079768	147.8
[M-H]-	197.083274	145.8
[M+NH4]+	216.124373	156.8
[M+K]+	237.053708	144.2
[M+H-H2O]+	181.087810	131.1
[M+HCOO]-	243.088751	167.2
[M+CH3COO]-	257.104401	153.5
[M+Na-2H]-	219.065216	152.2
[M]+	198.09000142	139.4
[M]-	198.09109858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe