CID 6419122

Chembl324086

Structural Information

Molecular Formula
C16H11ClN4
SMILES
C1=CC=C2C(=C1)C3=NN=C(C(=C3N2)C4=CC=CC=C4Cl)N
InChI
InChI=1S/C16H11ClN4/c17-11-7-3-1-5-9(11)13-15-14(20-21-16(13)18)10-6-2-4-8-12(10)19-15/h1-8,19H,(H2,18,21)
InChIKey
FXKYVIMVUQWALT-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.06723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07451 165.6
[M+Na]+ 317.05645 178.3
[M-H]- 293.05995 169.4
[M+NH4]+ 312.10105 180.8
[M+K]+ 333.03039 169.1
[M+H-H2O]+ 277.06449 156.6
[M+HCOO]- 339.06543 181.2
[M+CH3COO]- 353.08108 177.1
[M+Na-2H]- 315.04190 172.3
[M]+ 294.06668 167.1
[M]- 294.06778 167.1
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.