CID 3057440

74038-91-8

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC1=CC(=C(C=C1)OC)OC)C2=CC3=C(CCC3)C=C2C
InChI
InChI=1S/C21H27NO2/c1-5-22(14-16-9-10-20(23-3)21(12-16)24-4)19-13-18-8-6-7-17(18)11-15(19)2/h9-13H,5-8,14H2,1-4H3
InChIKey
FXFLMZGIJDTWBW-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1H-inden-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.1
[M+Na]+ 348.19342 193.0
[M+NH4]+ 343.23802 189.1
[M+K]+ 364.16736 186.4
[M-H]- 324.19692 185.8
[M+Na-2H]- 346.17887 186.7
[M]+ 325.20365 183.6
[M]- 325.20475 183.6
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.