CID 44177631

H3r agonist cep-32215

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CC1(CC(=NNC1=O)C2=CC3=C(C=C2)OC4(CCN(CC4)C5CCC5)OC3)C
InChI
InChI=1S/C22H29N3O3/c1-21(2)13-18(23-24-20(21)26)15-6-7-19-16(12-15)14-27-22(28-19)8-10-25(11-9-22)17-4-3-5-17/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3,(H,24,26)
InChIKey
LUCJAWANBKICPE-UHFFFAOYSA-N
Compound name
3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-5,5-dimethyl-1,4-dihydropyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

383.2209 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 191.3
[M+Na]+ 406.21012 194.8
[M-H]- 382.21362 197.4
[M+NH4]+ 401.25472 193.7
[M+K]+ 422.18406 194.9
[M+H-H2O]+ 366.21816 174.0
[M+HCOO]- 428.21910 195.6
[M+CH3COO]- 442.23475 197.3
[M+Na-2H]- 404.19557 192.6
[M]+ 383.22035 192.2
[M]- 383.22145 192.2
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

patents stripe