CID 6410574

Brn 0799345

Structural Information

Molecular Formula
C12H15N5
SMILES
CC1=CC(=NN1C2=NN=C(C=C2)NC3CC3)C
InChI
InChI=1S/C12H15N5/c1-8-7-9(2)17(16-8)12-6-5-11(14-15-12)13-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,13,14)
InChIKey
REKFTCDQYUKZJD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 161.2
[M+Na]+ 252.12197 172.5
[M-H]- 228.12547 166.8
[M+NH4]+ 247.16657 170.9
[M+K]+ 268.09591 166.2
[M+H-H2O]+ 212.13001 151.2
[M+HCOO]- 274.13095 183.2
[M+CH3COO]- 288.14660 172.5
[M+Na-2H]- 250.10742 165.2
[M]+ 229.13220 163.5
[M]- 229.13330 163.5
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