CID 5272074

Chembl117333

Structural Information

Molecular Formula
C17H14N4
SMILES
CC1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3
InChI
InChI=1S/C17H14N4/c1-10-6-8-11(9-7-10)14-16-15(20-21-17(14)18)12-4-2-3-5-13(12)19-16/h2-9,19H,1H3,(H2,18,21)
InChIKey
TYZPKSSUDSNXKJ-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12914 163.5
[M+Na]+ 297.11108 175.1
[M-H]- 273.11458 167.7
[M+NH4]+ 292.15568 178.7
[M+K]+ 313.08502 167.0
[M+H-H2O]+ 257.11912 154.2
[M+HCOO]- 319.12006 183.5
[M+CH3COO]- 333.13571 175.1
[M+Na-2H]- 295.09653 170.3
[M]+ 274.12131 163.2
[M]- 274.12241 163.2
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.