CID 3052623

Brn 1513910

Structural Information

Molecular Formula
C24H26ClNO3
SMILES
CC1=C(OC2=CC=CC=C2C1=O)CCCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H26ClNO3/c1-17-21(29-22-6-3-2-5-20(22)23(17)27)7-4-14-26-15-12-24(28,13-16-26)18-8-10-19(25)11-9-18/h2-3,5-6,8-11,28H,4,7,12-16H2,1H3
InChIKey
RGACXANBWWVBDO-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16013 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16741 200.3
[M+Na]+ 434.14935 208.2
[M-H]- 410.15285 208.2
[M+NH4]+ 429.19395 211.1
[M+K]+ 450.12329 201.8
[M+H-H2O]+ 394.15739 189.8
[M+HCOO]- 456.15833 210.2
[M+CH3COO]- 470.17398 208.9
[M+Na-2H]- 432.13480 202.3
[M]+ 411.15958 201.9
[M]- 411.16068 201.9
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.