CID 708346

5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one

Structural Information

Molecular Formula
C13H13N3O
SMILES
CCN1C2=CC=CC=C2C3=NNC(=C3C1=O)C
InChI
InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey
ASEHARDUZDZEKS-UHFFFAOYSA-N
Compound name
5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

227.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 150.5
[M+Na]+ 250.09509 163.6
[M-H]- 226.09859 152.1
[M+NH4]+ 245.13969 168.7
[M+K]+ 266.06903 157.5
[M+H-H2O]+ 210.10313 142.9
[M+HCOO]- 272.10407 170.5
[M+CH3COO]- 286.11972 163.6
[M+Na-2H]- 248.08054 157.4
[M]+ 227.10532 153.6
[M]- 227.10642 153.6
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.