CID 510448

Sch-43478

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
CC1=C2C(=C3C=C(C=CC3=NC2=NN1)OC)Cl
InChI
InChI=1S/C12H10ClN3O/c1-6-10-11(13)8-5-7(17-2)3-4-9(8)14-12(10)16-15-6/h3-5H,1-2H3,(H,14,15,16)
InChIKey
BQZVEXXIPVMBRN-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

247.05124 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05852 152.4
[M+Na]+ 270.04046 166.3
[M-H]- 246.04396 153.7
[M+NH4]+ 265.08506 170.7
[M+K]+ 286.01440 159.6
[M+H-H2O]+ 230.04850 145.1
[M+HCOO]- 292.04944 167.8
[M+CH3COO]- 306.06509 165.4
[M+Na-2H]- 268.02591 159.3
[M]+ 247.05069 157.7
[M]- 247.05179 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe