CID 211555

23348-37-0

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CCOC1=CC=CC(=C1)C2=NN(C(=O)C(=C2)C3=CC=CC=C3)CCN4CCOCC4
InChI
InChI=1S/C24H27N3O3/c1-2-30-21-10-6-9-20(17-21)23-18-22(19-7-4-3-5-8-19)24(28)27(25-23)12-11-26-13-15-29-16-14-26/h3-10,17-18H,2,11-16H2,1H3
InChIKey
WHCSGLPWXUDFOA-UHFFFAOYSA-N
Compound name
6-(3-ethoxyphenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 202.0
[M+Na]+ 428.19445 207.2
[M-H]- 404.19795 210.0
[M+NH4]+ 423.23905 206.0
[M+K]+ 444.16839 201.8
[M+H-H2O]+ 388.20249 187.8
[M+HCOO]- 450.20343 216.4
[M+CH3COO]- 464.21908 209.3
[M+Na-2H]- 426.17990 203.6
[M]+ 405.20468 201.3
[M]- 405.20578 201.3
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.