CID 46834623

923571-20-4

Structural Information

Molecular Formula
C24H25NO3
SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3=CCN(CC3)CC4=CC=CC=C4)/C2=O)OC
InChI
InChI=1S/C24H25NO3/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/h3-8,12,14-15H,9-11,13,16H2,1-2H3/b20-12+
InChIKey
COHPXOXOTGQWNU-UDWIEESQSA-N
Compound name
(2E)-2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 192.7
[M+Na]+ 398.17266 199.2
[M-H]- 374.17616 201.5
[M+NH4]+ 393.21726 205.9
[M+K]+ 414.14660 193.0
[M+H-H2O]+ 358.18070 182.7
[M+HCOO]- 420.18164 210.7
[M+CH3COO]- 434.19729 202.3
[M+Na-2H]- 396.15811 191.2
[M]+ 375.18289 192.8
[M]- 375.18399 192.8
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