CID 17027464

955272-06-7

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
CC1=C2C(=CC(=O)N1CC3=CC=CC=N3)NN(C2=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
InChIKey
DNKYHHFCPXKFIY-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

96
Patents

366.08835 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09563 186.0
[M+Na]+ 389.07757 199.7
[M-H]- 365.08107 191.6
[M+NH4]+ 384.12217 196.1
[M+K]+ 405.05151 190.3
[M+H-H2O]+ 349.08561 175.0
[M+HCOO]- 411.08655 200.5
[M+CH3COO]- 425.10220 196.6
[M+Na-2H]- 387.06302 188.9
[M]+ 366.08780 190.9
[M]- 366.08890 190.9
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