CID 53349

Brn 5960910

Structural Information

Molecular Formula

C₁₂H₁₆N₆

SMILES

CCC1=NC=CN1C2=NN=C(C=C2)NN=C(C)C

InChI

InChI=1S/C12H16N6/c1-4-11-13-7-8-18(11)12-6-5-10(16-17-12)15-14-9(2)3/h5-8H,4H2,1-3H3,(H,15,16)

InChIKey

JACDMTQGDOGNFY-UHFFFAOYSA-N

Compound name

6-(2-ethylimidazol-1-yl)-N-(propan-2-ylideneamino)pyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 244.14365 Da
Monoisotopic Mass: 1.3
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]+	245.15093	155.7
[M+Na]+	267.13287	167.4
[M+NH4]+	262.17747	161.8
[M+K]+	283.10681	163.3
[M-H]-	243.13637	158.0
[M+Na-2H]-	265.11832	163.3
[M]+	244.14310	157.7
[M]-	244.14420	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe