CID 136509975

112447-00-4

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CC1=C2C(=O)C3=C(C=CC(=C3)OC)NC2=NN1
InChI
InChI=1S/C12H11N3O2/c1-6-10-11(16)8-5-7(17-2)3-4-9(8)13-12(10)15-14-6/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKey
ODJKXEJBMRAERV-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-2,9-dihydropyrazolo[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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.3
[M+Na]+ 252.07435 162.2
[M-H]- 228.07785 149.7
[M+NH4]+ 247.11895 166.6
[M+K]+ 268.04829 156.1
[M+H-H2O]+ 212.08239 142.0
[M+HCOO]- 274.08333 168.3
[M+CH3COO]- 288.09898 162.0
[M+Na-2H]- 250.05980 156.3
[M]+ 229.08458 151.7
[M]- 229.08568 151.7
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