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 181.0
[M+Na]+ 360.15702 188.9
[M-H]- 336.16052 190.3
[M+NH4]+ 355.20162 198.3
[M+K]+ 376.13096 185.1
[M+H-H2O]+ 320.16506 173.2
[M+HCOO]- 382.16600 204.6
[M+CH3COO]- 396.18165 218.8
[M+Na-2H]- 358.14247 181.1
[M]+ 337.16725 185.9
[M]- 337.16835 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

literature stripe

Patent stripe

No patent data available for this compound.