CID 211547

23348-24-5

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CN(C)CCN1C(=O)C(=CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-23(2)12-13-24-21(25)19(16-8-5-4-6-9-16)15-20(22-24)17-10-7-11-18(14-17)26-3/h4-11,14-15H,12-13H2,1-3H3
InChIKey
VMQODIFADCASMD-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-6-(3-methoxyphenyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 185.5
[M+Na]+ 372.168238 193.2
[M-H]- 348.171744 194.0
[M+NH4]+ 367.212843 195.9
[M+K]+ 388.142178 188.4
[M+H-H2O]+ 332.176280 173.7
[M+HCOO]- 394.177221 207.9
[M+CH3COO]- 408.192871 220.4
[M+Na-2H]- 370.153686 189.1
[M]+ 349.17847142 189.3
[M]- 349.17956858 189.3
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.