CID 3071499

137376-71-7

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC1=C(C=C2C(=C1)CC(C2=O)CN(C)C)OCC
InChI
InChI=1S/C16H23NO3/c1-5-19-14-8-11-7-12(10-17(3)4)16(18)13(11)9-15(14)20-6-2/h8-9,12H,5-7,10H2,1-4H3
InChIKey
LRTGEVKHQLQFCC-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.1
[M+Na]+ 300.15702 175.6
[M+NH4]+ 295.20162 172.8
[M+K]+ 316.13096 171.1
[M-H]- 276.16052 167.3
[M+Na-2H]- 298.14247 168.3
[M]+ 277.16725 167.0
[M]- 277.16835 167.0
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.