CID 58496428

Gkt137831

Structural Information

Molecular Formula
C21H19ClN4O2
SMILES
CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
InChIKey
RGYQPQARIQKJKH-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

77
References

737
Patents

394.11966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.12694 194.2
[M+Na]+ 417.10888 207.2
[M-H]- 393.11238 202.8
[M+NH4]+ 412.15348 205.2
[M+K]+ 433.08282 199.1
[M+H-H2O]+ 377.11692 183.7
[M+HCOO]- 439.11786 211.1
[M+CH3COO]- 453.13351 205.1
[M+Na-2H]- 415.09433 195.6
[M]+ 394.11911 200.6
[M]- 394.12021 200.6
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