CID 211589

23419-45-6

Structural Information

Molecular Formula
C22H23N3O3
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O3/c26-19-8-4-7-18(15-19)21-16-20(17-5-2-1-3-6-17)22(27)25(23-21)10-9-24-11-13-28-14-12-24/h1-8,15-16,26H,9-14H2
InChIKey
NELSUANATBKFPG-UHFFFAOYSA-N
Compound name
6-(3-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 193.3
[M+Na]+ 400.16317 199.1
[M-H]- 376.16667 200.4
[M+NH4]+ 395.20777 197.8
[M+K]+ 416.13711 193.2
[M+H-H2O]+ 360.17121 179.9
[M+HCOO]- 422.17215 207.0
[M+CH3COO]- 436.18780 200.9
[M+Na-2H]- 398.14862 195.7
[M]+ 377.17340 190.4
[M]- 377.17450 190.4
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.