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]+ 302.18630 175.2
[M+Na]+ 324.16824 179.7
[M-H]- 300.17174 179.9
[M+NH4]+ 319.21284 184.0
[M+K]+ 340.14218 176.1
[M+H-H2O]+ 284.17628 163.4
[M+HCOO]- 346.17722 188.1
[M+CH3COO]- 360.19287 183.7
[M+Na-2H]- 322.15369 177.1
[M]+ 301.17847 170.7
[M]- 301.17957 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