CID 126741

143556-24-5

Structural Information

Molecular Formula
C13H9ClN4O2
SMILES
C1=CC=C(C=C1)C2=C(C3=C(C(=O)NNC3=O)C(=N2)Cl)N
InChI
InChI=1S/C13H9ClN4O2/c14-11-8-7(12(19)17-18-13(8)20)9(15)10(16-11)6-4-2-1-3-5-6/h1-5H,15H2,(H,17,19)(H,18,20)
InChIKey
ABEDICJFYSFCHB-UHFFFAOYSA-N
Compound name
8-amino-5-chloro-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

128
Patents

288.0414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04868 162.6
[M+Na]+ 311.03062 175.1
[M-H]- 287.03412 164.3
[M+NH4]+ 306.07522 174.6
[M+K]+ 327.00456 166.5
[M+H-H2O]+ 271.03866 154.3
[M+HCOO]- 333.03960 176.4
[M+CH3COO]- 347.05525 173.4
[M+Na-2H]- 309.01607 168.8
[M]+ 288.04085 162.0
[M]- 288.04195 162.0
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