CID 5746185

Chembl52168

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=O)CC3
InChI
InChI=1S/C14H15N3O2/c1-8-6-13(19)16-17-14(8)10-2-4-11-9(7-10)3-5-12(18)15-11/h2,4,7-8H,3,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKey
SLHSCTCINOLPIL-UHFFFAOYSA-N
Compound name
6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

257.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 161.5
[M+Na]+ 280.10564 168.7
[M-H]- 256.10914 161.8
[M+NH4]+ 275.15024 173.7
[M+K]+ 296.07958 162.4
[M+H-H2O]+ 240.11368 152.2
[M+HCOO]- 302.11462 173.4
[M+CH3COO]- 316.13027 170.6
[M+Na-2H]- 278.09109 164.7
[M]+ 257.11587 154.4
[M]- 257.11697 154.4
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