CID 5933683

23114-26-3

Structural Information

Molecular Formula
C20H21NO3
SMILES
CN(C)C1=C(C=C(C(=C1)OC)/C=C/2\CC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C20H21NO3/c1-21(2)17-12-18(23-3)14(11-19(17)24-4)10-15-9-13-7-5-6-8-16(13)20(15)22/h5-8,10-12H,9H2,1-4H3/b15-10+
InChIKey
PVRUZULHOQUFQS-XNTDXEJSSA-N
Compound name
(2E)-2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.15213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.3
[M+Na]+ 346.14135 184.7
[M-H]- 322.14485 185.8
[M+NH4]+ 341.18595 194.2
[M+K]+ 362.11529 181.1
[M+H-H2O]+ 306.14939 168.7
[M+HCOO]- 368.15033 200.2
[M+CH3COO]- 382.16598 215.9
[M+Na-2H]- 344.12680 176.9
[M]+ 323.15158 180.8
[M]- 323.15268 180.8
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

No patent data available for this compound.