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]+ 318.16008 177.6
[M+Na]+ 340.14202 189.2
[M-H]- 316.14552 182.2
[M+NH4]+ 335.18662 191.6
[M+K]+ 356.11596 181.4
[M+H-H2O]+ 300.15006 168.1
[M+HCOO]- 362.15100 195.2
[M+CH3COO]- 376.16665 188.6
[M+Na-2H]- 338.12747 181.0
[M]+ 317.15225 180.1
[M]- 317.15335 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.