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

0
Patents

275.10587 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 162.7
[M+Na]+ 298.09509 173.9
[M-H]- 274.09859 166.9
[M+NH4]+ 293.13969 177.9
[M+K]+ 314.06903 166.8
[M+H-H2O]+ 258.10313 153.0
[M+HCOO]- 320.10407 182.3
[M+CH3COO]- 334.11972 174.4
[M+Na-2H]- 296.08054 170.4
[M]+ 275.10532 164.6
[M]- 275.10642 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