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]+ 338.175076 181.0
[M+Na]+ 360.157018 188.9
[M-H]- 336.160524 190.3
[M+NH4]+ 355.201623 198.3
[M+K]+ 376.130958 185.1
[M+H-H2O]+ 320.165060 173.2
[M+HCOO]- 382.166001 204.6
[M+CH3COO]- 396.181651 218.8
[M+Na-2H]- 358.142466 181.1
[M]+ 337.16725142 185.9
[M]- 337.16834858 185.9
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.