CID 13449003

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

Structural Information

Molecular Formula
C18H15N3O
SMILES
CC1=NN(C2=NC3=CC=CC=C3C(=C12)OC4=CC=CC=C4)C
InChI
InChI=1S/C18H15N3O/c1-12-16-17(22-13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-18(16)21(2)20-12/h3-11H,1-2H3
InChIKey
AZVWDGSHKYBVLI-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-phenoxypyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 167.4
[M+Na]+ 312.11074 185.8
[M+NH4]+ 307.15534 176.6
[M+K]+ 328.08468 178.1
[M-H]- 288.11424 172.3
[M+Na-2H]- 310.09619 176.9
[M]+ 289.12097 171.7
[M]- 289.12207 171.7
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