CID 128064

Cgs-17867a

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
C1CCC2=NC=C3C(=C2C1)NN(C3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
InChIKey
NZEIZTTWQRQFFV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

299.08255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08983 167.3
[M+Na]+ 322.07177 178.8
[M-H]- 298.07527 170.8
[M+NH4]+ 317.11637 182.5
[M+K]+ 338.04571 170.4
[M+H-H2O]+ 282.07981 158.0
[M+HCOO]- 344.08075 179.8
[M+CH3COO]- 358.09640 178.3
[M+Na-2H]- 320.05722 172.0
[M]+ 299.08200 167.9
[M]- 299.08310 167.9
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