CID 2815402

Ccg-47506

Structural Information

Molecular Formula
C22H19ClN4O2
SMILES
CC1=CC=C(N1C2=C(C=CC=N2)OC3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl)C
InChI
InChI=1S/C22H19ClN4O2/c1-15-10-11-16(2)27(15)21-18(9-6-12-24-21)29-19-13-25-26(22(28)20(19)23)14-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3
InChIKey
ONLGMADOISABRL-UHFFFAOYSA-N
Compound name
2-benzyl-4-chloro-5-[[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]oxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

406.11966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.126936 198.0
[M+Na]+ 429.108878 209.3
[M-H]- 405.112384 206.3
[M+NH4]+ 424.153483 205.6
[M+K]+ 445.082818 200.8
[M+H-H2O]+ 389.116920 185.0
[M+HCOO]- 451.117861 212.7
[M+CH3COO]- 465.133511 207.6
[M+Na-2H]- 427.094326 198.1
[M]+ 406.11911142 203.4
[M]- 406.12020858 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.