CID 211556

23348-38-1

Structural Information

Molecular Formula
C22H22BrN3O2
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C22H22BrN3O2/c23-19-8-4-7-18(15-19)21-16-20(17-5-2-1-3-6-17)22(27)26(24-21)10-9-25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChIKey
VOHBAWOXYXHOKB-UHFFFAOYSA-N
Compound name
6-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-4-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09682 198.6
[M+Na]+ 462.07876 207.0
[M-H]- 438.08226 208.9
[M+NH4]+ 457.12336 205.8
[M+K]+ 478.05270 194.8
[M+H-H2O]+ 422.08680 193.1
[M+HCOO]- 484.08774 211.6
[M+CH3COO]- 498.10339 208.2
[M+Na-2H]- 460.06421 202.1
[M]+ 439.08899 214.8
[M]- 439.09009 214.8
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.