CID 211548

23348-26-7

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CCN(CC)CCN1C(=O)C(=CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O2/c1-4-25(5-2)14-15-26-23(27)21(18-10-7-6-8-11-18)17-22(24-26)19-12-9-13-20(16-19)28-3/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKey
OREYWAOOBQWFEY-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-6-(3-methoxyphenyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.5
[M+Na]+ 400.19955 201.2
[M-H]- 376.20305 202.6
[M+NH4]+ 395.24415 203.7
[M+K]+ 416.17349 196.0
[M+H-H2O]+ 360.20759 182.2
[M+HCOO]- 422.20853 216.2
[M+CH3COO]- 436.22418 226.2
[M+Na-2H]- 398.18500 196.9
[M]+ 377.20978 198.9
[M]- 377.21088 198.9
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.