CID 32591

Ahr 2244

Structural Information

Molecular Formula
C24H28FNO4
SMILES
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C24H28FNO4/c1-17(27)20-6-9-22(23(16-20)29-2)30-15-3-12-26-13-10-19(11-14-26)24(28)18-4-7-21(25)8-5-18/h4-9,16,19H,3,10-15H2,1-2H3
InChIKey
MPUYHNLWMHKDJT-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

413.20023 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20751 200.6
[M+Na]+ 436.18945 204.1
[M-H]- 412.19295 206.2
[M+NH4]+ 431.23405 208.7
[M+K]+ 452.16339 199.7
[M+H-H2O]+ 396.19749 188.7
[M+HCOO]- 458.19843 215.1
[M+CH3COO]- 472.21408 227.1
[M+Na-2H]- 434.17490 197.1
[M]+ 413.19968 200.0
[M]- 413.20078 200.0
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