CID 6509211

17258-28-5

Structural Information

Molecular Formula
C13H14N4
SMILES
CC1=CC(=NN=C1N/N=C\C2=CC=CC=C2)C
InChI
InChI=1S/C13H14N4/c1-10-8-11(2)15-17-13(10)16-14-9-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)/b14-9-
InChIKey
CJJLORKREXVXFA-ZROIWOOFSA-N
Compound name
N-[(Z)-benzylideneamino]-4,6-dimethylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.129116 151.2
[M+Na]+ 249.111058 159.3
[M-H]- 225.114564 156.8
[M+NH4]+ 244.155663 166.8
[M+K]+ 265.084998 155.2
[M+H-H2O]+ 209.119100 141.6
[M+HCOO]- 271.120041 177.0
[M+CH3COO]- 285.135691 197.5
[M+Na-2H]- 247.096506 159.9
[M]+ 226.12129142 151.4
[M]- 226.12238858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.