CID 6481190

2-methyl-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-7-amine

Structural Information

Molecular Formula
C18H15N5
SMILES
CN1C(=C2C(=NN=C(C2=N1)N)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H15N5/c1-23-17(13-10-6-3-7-11-13)14-15(12-8-4-2-5-9-12)20-21-18(19)16(14)22-23/h2-11H,1H3,(H2,19,21)
InChIKey
SFAYKXKPLRKRJF-UHFFFAOYSA-N
Compound name
2-methyl-3,4-diphenylpyrazolo[3,4-d]pyridazin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.13275 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14003 171.8
[M+Na]+ 324.12197 183.2
[M-H]- 300.12547 178.1
[M+NH4]+ 319.16657 183.7
[M+K]+ 340.09591 175.3
[M+H-H2O]+ 284.13001 160.5
[M+HCOO]- 346.13095 192.9
[M+CH3COO]- 360.14660 183.0
[M+Na-2H]- 322.10742 177.8
[M]+ 301.13220 172.5
[M]- 301.13330 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.