CID 5272085

Chembl332951

Structural Information

Molecular Formula
C17H13ClN4
SMILES
CN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4Cl)N
InChI
InChI=1S/C17H13ClN4/c1-22-13-9-5-3-7-11(13)15-16(22)14(17(19)21-20-15)10-6-2-4-8-12(10)18/h2-9H,1H3,(H2,19,21)
InChIKey
CLJNZAXZLMAWIC-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-5-methylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0829 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 171.9
[M+Na]+ 331.07212 185.4
[M-H]- 307.07562 177.2
[M+NH4]+ 326.11672 187.4
[M+K]+ 347.04606 176.8
[M+H-H2O]+ 291.08016 162.4
[M+HCOO]- 353.08110 188.5
[M+CH3COO]- 367.09675 183.8
[M+Na-2H]- 329.05757 177.5
[M]+ 308.08235 175.8
[M]- 308.08345 175.8
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.