CID 202787

Ag 250

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=CC(=NN(C1=O)CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O2/c1-13-11-15(14-5-3-2-4-6-14)17-19(16(13)20)12-18-7-9-21-10-8-18/h2-6,11H,7-10,12H2,1H3
InChIKey
GMZAUXSROBXMDR-UHFFFAOYSA-N
Compound name
4-methyl-2-(morpholin-4-ylmethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 167.5
[M+Na]+ 308.13696 183.2
[M+NH4]+ 303.18156 174.8
[M+K]+ 324.11090 175.7
[M-H]- 284.14046 173.5
[M+Na-2H]- 306.12241 176.4
[M]+ 285.14719 171.5
[M]- 285.14829 171.5
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.