CID 13122

Aceperone

Structural Information

Molecular Formula
C24H29FN2O2
SMILES
CC(=O)NCC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C24H29FN2O2/c1-19(28)26-18-24(21-6-3-2-4-7-21)13-16-27(17-14-24)15-5-8-23(29)20-9-11-22(25)12-10-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,26,28)
InChIKey
VDGZERMDPAAZEJ-UHFFFAOYSA-N
Compound name
N-[[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenylpiperidin-4-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

32
Patents

396.2213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.228576 198.6
[M+Na]+ 419.210518 200.8
[M-H]- 395.214024 203.7
[M+NH4]+ 414.255123 208.8
[M+K]+ 435.184458 195.3
[M+H-H2O]+ 379.218560 186.8
[M+HCOO]- 441.219501 213.8
[M+CH3COO]- 455.235151 224.3
[M+Na-2H]- 417.195966 197.9
[M]+ 396.22075142 194.0
[M]- 396.22184858 194.0
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

patents stripe