CID 135409943

Chembl118046

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C(C=C1)C2=C3C(=NNC2=O)C4=CC=CC=C4N3
InChI
InChI=1S/C16H11N3O/c20-16-13(10-6-2-1-3-7-10)15-14(18-19-16)11-8-4-5-9-12(11)17-15/h1-9,17H,(H,19,20)
InChIKey
KANXPKPPSWLZNF-UHFFFAOYSA-N
Compound name
4-phenyl-2,5-dihydropyridazino[4,3-b]indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.0902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 157.7
[M+Na]+ 284.07942 169.3
[M-H]- 260.08292 160.8
[M+NH4]+ 279.12402 172.8
[M+K]+ 300.05336 161.0
[M+H-H2O]+ 244.08746 148.7
[M+HCOO]- 306.08840 176.4
[M+CH3COO]- 320.10405 169.3
[M+Na-2H]- 282.06487 165.6
[M]+ 261.08965 157.0
[M]- 261.09075 157.0
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.