CID 25197364

Chembl462873

Structural Information

Molecular Formula
C21H23NO3
SMILES
CN(C)CC1=CC=C(C=C1)/C=C/2\CC3=CC(=C(C=C3C2=O)OC)OC
InChI
InChI=1S/C21H23NO3/c1-22(2)13-15-7-5-14(6-8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-9,11-12H,10,13H2,1-4H3/b17-9+
InChIKey
YSIUWNDMUWINQD-RQZCQDPDSA-N
Compound name
(2E)-2-[[4-[(dimethylamino)methyl]phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.4
[M+Na]+ 360.15702 194.3
[M+NH4]+ 355.20162 189.3
[M+K]+ 376.13096 188.2
[M-H]- 336.16052 186.1
[M+Na-2H]- 358.14247 187.1
[M]+ 337.16725 184.5
[M]- 337.16835 184.5
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

No patent data available for this compound.