CID 19104

Anisoperidone

Structural Information

Molecular Formula
C22H25NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCCN2CCC(=CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO2/c1-25-21-11-9-20(10-12-21)22(24)8-5-15-23-16-13-19(14-17-23)18-6-3-2-4-7-18/h2-4,6-7,9-13H,5,8,14-17H2,1H3
InChIKey
PRKMKMJCQDPUKG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.9
[M+Na]+ 358.17776 186.8
[M-H]- 334.18126 189.8
[M+NH4]+ 353.22236 194.1
[M+K]+ 374.15170 181.6
[M+H-H2O]+ 318.18580 172.1
[M+HCOO]- 380.18674 201.1
[M+CH3COO]- 394.20239 211.5
[M+Na-2H]- 356.16321 184.3
[M]+ 335.18799 181.7
[M]- 335.18909 181.7
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.