CID 13762598

112447-04-8

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1=C2C(=O)C3=C(C=CC(=C3)OC)N(C2=NN1C)C
InChI
InChI=1S/C14H15N3O2/c1-8-12-13(18)10-7-9(19-4)5-6-11(10)16(2)14(12)15-17(8)3/h5-7H,1-4H3
InChIKey
KKIITVHSDBKAMI-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,9-trimethylpyrazolo[3,4-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.4
[M+Na]+ 280.10564 173.0
[M-H]- 256.10914 161.8
[M+NH4]+ 275.15024 176.5
[M+K]+ 296.07958 168.2
[M+H-H2O]+ 240.11368 150.6
[M+HCOO]- 302.11462 179.5
[M+CH3COO]- 316.13027 172.1
[M+Na-2H]- 278.09109 163.6
[M]+ 257.11587 165.8
[M]- 257.11697 165.8
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