CID 6540289

6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one

Structural Information

Molecular Formula
C12H10ClN3O2
SMILES
CC1=NN(C2=C1C(=O)C3=C(N2O)C=CC(=C3)Cl)C
InChI
InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
InChIKey
AYKGPCNWPACUQV-UHFFFAOYSA-N
Compound name
6-chloro-9-hydroxy-1,3-dimethylpyrazolo[3,4-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

263.04614 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05342 155.7
[M+Na]+ 286.03536 171.4
[M-H]- 262.03886 157.8
[M+NH4]+ 281.07996 173.7
[M+K]+ 302.00930 164.8
[M+H-H2O]+ 246.04340 149.0
[M+HCOO]- 308.04434 171.3
[M+CH3COO]- 322.05999 169.2
[M+Na-2H]- 284.02081 161.1
[M]+ 263.04559 162.5
[M]- 263.04669 162.5
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