CID 3052624

Brn 1516023

Structural Information

Molecular Formula
C24H25ClFNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)F)CCCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H25ClFNO3/c1-16-21(30-22-15-19(26)8-9-20(22)23(16)28)3-2-12-27-13-10-24(29,11-14-27)17-4-6-18(25)7-5-17/h4-9,15,29H,2-3,10-14H2,1H3
InChIKey
ZZNUZLKZRLBADR-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-7-fluoro-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1507 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15798 203.8
[M+Na]+ 452.13992 212.6
[M-H]- 428.14342 210.6
[M+NH4]+ 447.18452 214.1
[M+K]+ 468.11386 205.8
[M+H-H2O]+ 412.14796 192.6
[M+HCOO]- 474.14890 212.6
[M+CH3COO]- 488.16455 212.1
[M+Na-2H]- 450.12537 204.5
[M]+ 429.15015 204.9
[M]- 429.15125 204.9
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.