CID 13526727

104332-44-7

Structural Information

Molecular Formula
C15H14ClN3O2
SMILES
CCOC(=O)CN1C2=NC3=CC=CC=C3C(=C2C(=N1)C)Cl
InChI
InChI=1S/C15H14ClN3O2/c1-3-21-12(20)8-19-15-13(9(2)18-19)14(16)10-6-4-5-7-11(10)17-15/h4-7H,3,8H2,1-2H3
InChIKey
CRQKFUOJVVUABE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chloro-3-methylpyrazolo[3,4-b]quinolin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08473 167.0
[M+Na]+ 326.06667 183.0
[M+NH4]+ 321.11127 174.8
[M+K]+ 342.04061 176.9
[M-H]- 302.07017 168.2
[M+Na-2H]- 324.05212 172.4
[M]+ 303.07690 169.9
[M]- 303.07800 169.9
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

No patent data available for this compound.