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]+ 406.212506 202.0
[M+Na]+ 428.194448 207.2
[M-H]- 404.197954 210.0
[M+NH4]+ 423.239053 206.0
[M+K]+ 444.168388 201.8
[M+H-H2O]+ 388.202490 187.8
[M+HCOO]- 450.203431 216.4
[M+CH3COO]- 464.219081 209.3
[M+Na-2H]- 426.179896 203.6
[M]+ 405.20468142 201.3
[M]- 405.20577858 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.