CID 392163

Nsc692043

Structural Information

Molecular Formula
C14H11ClN4O2
SMILES
CC(=O)C1=CN(C(=O)C2=C1NN=C2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN4O2/c1-7(20)10-6-19(9-4-2-8(15)3-5-9)14(21)11-12(10)17-18-13(11)16/h2-6H,1H3,(H3,16,17,18)
InChIKey
GTUBFTHBTJTYIJ-UHFFFAOYSA-N
Compound name
7-acetyl-3-amino-5-(4-chlorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.05707 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06435 166.5
[M+Na]+ 325.04629 179.4
[M-H]- 301.04979 170.2
[M+NH4]+ 320.09089 180.5
[M+K]+ 341.02023 172.0
[M+H-H2O]+ 285.05433 158.4
[M+HCOO]- 347.05527 182.8
[M+CH3COO]- 361.07092 178.3
[M+Na-2H]- 323.03174 169.6
[M]+ 302.05652 169.6
[M]- 302.05762 169.6
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.