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]+ 232.063596 149.3
[M+Na]+ 254.045538 163.8
[M-H]- 230.049044 151.9
[M+NH4]+ 249.090143 169.0
[M+K]+ 270.019478 157.3
[M+H-H2O]+ 214.053580 141.7
[M+HCOO]- 276.054521 166.0
[M+CH3COO]- 290.070171 163.1
[M+Na-2H]- 252.030986 156.5
[M]+ 231.05577142 155.0
[M]- 231.05686858 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.