CID 211533

23338-47-8

Structural Information

Molecular Formula
C23H25N3O2
SMILES
CC1=CC=C(C=C1)C2=CC(=NN(C2=O)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O2/c1-18-7-9-19(10-8-18)21-17-22(20-5-3-2-4-6-20)24-26(23(21)27)12-11-25-13-15-28-16-14-25/h2-10,17H,11-16H2,1H3
InChIKey
YSQODNGHZVLWQA-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 193.7
[M+Na]+ 398.18389 211.2
[M+NH4]+ 393.22849 200.9
[M+K]+ 414.15783 201.7
[M-H]- 374.18739 202.4
[M+Na-2H]- 396.16934 204.5
[M]+ 375.19412 198.9
[M]- 375.19522 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.