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]+ 231.112806 150.6
[M+Na]+ 253.094748 158.5
[M-H]- 229.098254 151.5
[M+NH4]+ 248.139353 167.3
[M+K]+ 269.068688 153.9
[M+H-H2O]+ 213.102790 142.5
[M+HCOO]- 275.103731 165.5
[M+CH3COO]- 289.119381 161.5
[M+Na-2H]- 251.080196 157.4
[M]+ 230.10498142 147.6
[M]- 230.10607858 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.