CID 6410657

Sr 95085

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NCCN

InChI

InChI=1S/C12H14N4/c13-8-9-14-12-7-6-11(15-16-12)10-4-2-1-3-5-10/h1-7H,8-9,13H2,(H,14,16)

InChIKey

MYIVBNAPMDWPSI-UHFFFAOYSA-N

Compound name

N'-(6-phenylpyridazin-3-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 214.12184 Da
Monoisotopic Mass: 1.2
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]+	215.129116	146.9
[M+Na]+	237.111058	153.8
[M-H]-	213.114564	150.4
[M+NH4]+	232.155663	161.8
[M+K]+	253.084998	149.3
[M+H-H2O]+	197.119100	137.7
[M+HCOO]-	259.120041	170.9
[M+CH3COO]-	273.135691	158.6
[M+Na-2H]-	235.096506	155.6
[M]+	214.12129142	144.4
[M]-	214.12238858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe