CID 3077094

4,4a,5,6-tetrahydro-9-methoxybenzo(h)cinnolin-3(2h)-one

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC1=CC2=C(CCC3C2=NNC(=O)C3)C=C1
InChI
InChI=1S/C13H14N2O2/c1-17-10-5-4-8-2-3-9-6-12(16)14-15-13(9)11(8)7-10/h4-5,7,9H,2-3,6H2,1H3,(H,14,16)
InChIKey
FWITYCSJTUCFDL-UHFFFAOYSA-N
Compound name
9-methoxy-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.6
[M+Na]+ 253.09475 158.5
[M-H]- 229.09825 151.5
[M+NH4]+ 248.13935 167.3
[M+K]+ 269.06869 153.9
[M+H-H2O]+ 213.10279 142.5
[M+HCOO]- 275.10373 165.5
[M+CH3COO]- 289.11938 161.5
[M+Na-2H]- 251.08020 157.4
[M]+ 230.10498 147.6
[M]- 230.10608 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.