CID 208812

Ag 277

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC1CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O2/c1-14-13-16(15-5-3-2-4-6-15)18-20(17(14)21)8-7-19-9-11-22-12-10-19/h2-6,14H,7-13H2,1H3
InChIKey
VTNOVCNQNHETSV-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-morpholin-4-ylethyl)-6-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

301.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 175.2
[M+Na]+ 324.168238 179.7
[M-H]- 300.171744 179.9
[M+NH4]+ 319.212843 184.0
[M+K]+ 340.142178 176.1
[M+H-H2O]+ 284.176280 163.4
[M+HCOO]- 346.177221 188.1
[M+CH3COO]- 360.192871 183.7
[M+Na-2H]- 322.153686 177.1
[M]+ 301.17847142 170.7
[M]- 301.17956858 170.7
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

patents stripe