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

literature stripe

Patent stripe

patents stripe