CID 213230

Benzo(h)cinnolin-3(2h)-one, 5,6-dihydro-

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1CC2=CC(=O)NN=C2C3=CC=CC=C31
InChI
InChI=1S/C12H10N2O/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11/h1-4,7H,5-6H2,(H,13,15)
InChIKey
DGSJGLOZIUGZSF-UHFFFAOYSA-N
Compound name
5,6-dihydro-2H-benzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

34
Patents

198.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.086596 140.1
[M+Na]+ 221.068538 149.8
[M-H]- 197.072044 141.6
[M+NH4]+ 216.113143 158.1
[M+K]+ 237.042478 144.3
[M+H-H2O]+ 181.076580 132.3
[M+HCOO]- 243.077521 158.1
[M+CH3COO]- 257.093171 152.4
[M+Na-2H]- 219.053986 150.3
[M]+ 198.07877142 137.8
[M]- 198.07986858 137.8
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

patents stripe