CID 3087510

7-methylamino-4,4a-dihydro-5h-indeno(1,2-c)pyridazin-3-one

Structural Information

Molecular Formula
C12H13N3O
SMILES
CNC1=CC2=C(C=C1)C3=NNC(=O)CC3C2
InChI
InChI=1S/C12H13N3O/c1-13-9-2-3-10-7(5-9)4-8-6-11(16)14-15-12(8)10/h2-3,5,8,13H,4,6H2,1H3,(H,14,16)
InChIKey
HAHPYOKDQDCPLI-UHFFFAOYSA-N
Compound name
7-(methylamino)-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 146.1
[M+Na]+ 238.09509 154.7
[M-H]- 214.09859 147.6
[M+NH4]+ 233.13969 165.2
[M+K]+ 254.06903 149.7
[M+H-H2O]+ 198.10313 138.9
[M+HCOO]- 260.10407 164.5
[M+CH3COO]- 274.11972 157.9
[M+Na-2H]- 236.08054 152.1
[M]+ 215.10532 143.0
[M]- 215.10642 143.0
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.