CID 13640061

100548-67-2

Structural Information

Molecular Formula
C12H10ClN3
SMILES
CC1=C2C(=C3C=CC=CC3=NC2=NN1C)Cl
InChI
InChI=1S/C12H10ClN3/c1-7-10-11(13)8-5-3-4-6-9(8)14-12(10)15-16(7)2/h3-6H,1-2H3
InChIKey
YTRMSNHRUIHCPZ-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dimethylpyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05632 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06360 149.3
[M+Na]+ 254.04554 163.8
[M-H]- 230.04904 151.9
[M+NH4]+ 249.09014 169.0
[M+K]+ 270.01948 157.3
[M+H-H2O]+ 214.05358 141.7
[M+HCOO]- 276.05452 166.0
[M+CH3COO]- 290.07017 163.1
[M+Na-2H]- 252.03099 156.5
[M]+ 231.05577 155.0
[M]- 231.05687 155.0
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.