CID 13762604

112447-09-3

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CC1=C2C(=O)C3=C(C=CC(=C3)O)N(C2=NN1)C
InChI
InChI=1S/C12H11N3O2/c1-6-10-11(17)8-5-7(16)3-4-9(8)15(2)12(10)14-13-6/h3-5,16H,1-2H3,(H,13,14)
InChIKey
UNEYISBAHRHGHT-UHFFFAOYSA-N
Compound name
6-hydroxy-3,9-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.9
[M+Na]+ 252.07435 163.7
[M-H]- 228.07785 150.7
[M+NH4]+ 247.11895 167.5
[M+K]+ 268.04829 157.7
[M+H-H2O]+ 212.08239 143.0
[M+HCOO]- 274.08333 168.8
[M+CH3COO]- 288.09898 162.9
[M+Na-2H]- 250.05980 156.2
[M]+ 229.08458 152.7
[M]- 229.08568 152.7
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

patents stripe