CID 13449000

3-methyl-4-phenoxy-1h-pyrazolo[3,4-b]quinoline

Structural Information

Molecular Formula
C17H13N3O
SMILES
CC1=C2C(=C3C=CC=CC3=NC2=NN1)OC4=CC=CC=C4
InChI
InChI=1S/C17H13N3O/c1-11-15-16(21-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20-19-11/h2-10H,1H3,(H,18,19,20)
InChIKey
PDEWETOMOOUWEK-UHFFFAOYSA-N
Compound name
3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.10587 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.113146 162.7
[M+Na]+ 298.095088 173.9
[M-H]- 274.098594 166.9
[M+NH4]+ 293.139693 177.9
[M+K]+ 314.069028 166.8
[M+H-H2O]+ 258.103130 153.0
[M+HCOO]- 320.104071 182.3
[M+CH3COO]- 334.119721 174.4
[M+Na-2H]- 296.080536 170.4
[M]+ 275.10532142 164.6
[M]- 275.10641858 164.6
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