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]+ 278.175076 165.1
[M+Na]+ 300.157018 172.7
[M-H]- 276.160524 171.0
[M+NH4]+ 295.201623 185.1
[M+K]+ 316.130958 171.1
[M+H-H2O]+ 260.165060 158.8
[M+HCOO]- 322.166001 188.7
[M+CH3COO]- 336.181651 208.4
[M+Na-2H]- 298.142466 166.4
[M]+ 277.16725142 171.2
[M]- 277.16834858 171.2
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.