CID 211527

23338-39-8

Structural Information

Molecular Formula
C24H28N4O2
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=NN(C2=O)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O2/c1-26(2)21-10-8-19(9-11-21)22-18-23(20-6-4-3-5-7-20)25-28(24(22)29)13-12-27-14-16-30-17-15-27/h3-11,18H,12-17H2,1-2H3
InChIKey
FHAXTAMJLHIAMQ-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.22122 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 202.5
[M+Na]+ 427.210438 207.2
[M-H]- 403.213944 211.8
[M+NH4]+ 422.255043 206.8
[M+K]+ 443.184378 202.2
[M+H-H2O]+ 387.218480 188.1
[M+HCOO]- 449.219421 218.2
[M+CH3COO]- 463.235071 210.0
[M+Na-2H]- 425.195886 204.1
[M]+ 404.22067142 201.1
[M]- 404.22176858 201.1
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.