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[4,5-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]+ 303.064346 166.5
[M+Na]+ 325.046288 179.4
[M-H]- 301.049794 170.2
[M+NH4]+ 320.090893 180.5
[M+K]+ 341.020228 172.0
[M+H-H2O]+ 285.054330 158.4
[M+HCOO]- 347.055271 182.8
[M+CH3COO]- 361.070921 178.3
[M+Na-2H]- 323.031736 169.6
[M]+ 302.05652142 169.6
[M]- 302.05761858 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

patents stripe