CID 19607

Propyperone

Structural Information

Molecular Formula
C23H33FN2O2
SMILES
CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCCCC3
InChI
InChI=1S/C23H33FN2O2/c1-2-22(28)23(26-15-4-3-5-16-26)12-17-25(18-13-23)14-6-7-21(27)19-8-10-20(24)11-9-19/h8-11H,2-7,12-18H2,1H3
InChIKey
JMIUUTJADPMZTQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-piperidin-1-yl-4-propanoylpiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

33
Patents

388.2526 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.259876 198.4
[M+Na]+ 411.241818 198.7
[M-H]- 387.245324 201.0
[M+NH4]+ 406.286423 207.5
[M+K]+ 427.215758 193.9
[M+H-H2O]+ 371.249860 186.1
[M+HCOO]- 433.250801 207.2
[M+CH3COO]- 447.266451 220.8
[M+Na-2H]- 409.227266 194.6
[M]+ 388.25205142 190.3
[M]- 388.25314858 190.3
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