CID 6320070

Chembl115645

Structural Information

Molecular Formula
C20H19N3O
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=NNC2=O)C4=CC=CC=C4N3C
InChI
InChI=1S/C20H19N3O/c1-12(2)13-8-10-14(11-9-13)17-19-18(21-22-20(17)24)15-6-4-5-7-16(15)23(19)3/h4-12H,1-3H3,(H,22,24)
InChIKey
KRENLLRJPFRNSA-UHFFFAOYSA-N
Compound name
5-methyl-4-(4-propan-2-ylphenyl)-2H-pyridazino[4,3-b]indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1528 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 177.6
[M+Na]+ 340.142018 189.2
[M-H]- 316.145524 182.2
[M+NH4]+ 335.186623 191.6
[M+K]+ 356.115958 181.4
[M+H-H2O]+ 300.150060 168.1
[M+HCOO]- 362.151001 195.2
[M+CH3COO]- 376.166651 188.6
[M+Na-2H]- 338.127466 181.0
[M]+ 317.15225142 180.1
[M]- 317.15334858 180.1
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.