CID 3053981

3(2h)-pyridazinone, 6-(4-amino-3,5-dimethyl-1h-pyrazol-1-yl)-, hydrazone, dihydrochloride

Structural Information

Molecular Formula
C9H13N7
SMILES
CC1=C(C(=NN1C2=NN=C(C=C2)NN)C)N
InChI
InChI=1S/C9H13N7/c1-5-9(10)6(2)16(15-5)8-4-3-7(12-11)13-14-8/h3-4H,10-11H2,1-2H3,(H,12,13)
InChIKey
DOJSQOIVZKGPED-UHFFFAOYSA-N
Compound name
1-(6-hydrazinylpyridazin-3-yl)-3,5-dimethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.12325 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13053 149.3
[M+Na]+ 242.11247 159.3
[M-H]- 218.11597 151.6
[M+NH4]+ 237.15707 163.4
[M+K]+ 258.08641 155.1
[M+H-H2O]+ 202.12051 139.7
[M+HCOO]- 264.12145 172.7
[M+CH3COO]- 278.13710 196.6
[M+Na-2H]- 240.09792 154.0
[M]+ 219.12270 147.1
[M]- 219.12380 147.1
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

patents stripe