CID 207157

Ag 269

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC1=CC=CC=C1C2=NN(C(=O)C(=C2)C)CCN3CCOCC3
InChI
InChI=1S/C18H23N3O2/c1-14-5-3-4-6-16(14)17-13-15(2)18(22)21(19-17)8-7-20-9-11-23-12-10-20/h3-6,13H,7-12H2,1-2H3
InChIKey
BUYDZRWFIJGXKJ-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 178.0
[M+Na]+ 336.16824 185.1
[M-H]- 312.17174 183.7
[M+NH4]+ 331.21284 186.8
[M+K]+ 352.14218 180.8
[M+H-H2O]+ 296.17628 166.3
[M+HCOO]- 358.17722 193.4
[M+CH3COO]- 372.19287 187.5
[M+Na-2H]- 334.15369 180.6
[M]+ 313.17847 177.1
[M]- 313.17957 177.1
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.