CID 10762160

120014-07-5

Structural Information

Molecular Formula
C24H27NO3
SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC
InChI
InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
InChIKey
LPMOTUSFDTTWJL-UDWIEESQSA-N
Compound name
(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

64
Patents

377.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 194.3
[M+Na]+ 400.18832 207.7
[M+NH4]+ 395.23292 202.1
[M+K]+ 416.16226 200.4
[M-H]- 376.19182 199.9
[M+Na-2H]- 398.17377 200.2
[M]+ 377.19855 197.7
[M]- 377.19965 197.7
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