CID 214844

Mr 560

Structural Information

Molecular Formula
C23H26FNO3
SMILES
CC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)O
InChI
InChI=1S/C23H26FNO3/c1-17(26)23(19-4-2-5-21(27)16-19)11-14-25(15-12-23)13-3-6-22(28)18-7-9-20(24)10-8-18/h2,4-5,7-10,16,27H,3,6,11-15H2,1H3
InChIKey
OYNHETROIZLKBD-UHFFFAOYSA-N
Compound name
4-[4-acetyl-4-(3-hydroxyphenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.18967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19695 193.6
[M+Na]+ 406.17889 197.5
[M-H]- 382.18239 198.0
[M+NH4]+ 401.22349 204.2
[M+K]+ 422.15283 192.1
[M+H-H2O]+ 366.18693 182.8
[M+HCOO]- 428.18787 206.8
[M+CH3COO]- 442.20352 218.0
[M+Na-2H]- 404.16434 191.9
[M]+ 383.18912 189.4
[M]- 383.19022 189.4
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.