CID 5746185

70386-07-1

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.