CID 3051124

67293-00-9

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCN(CC)CCOC(=O)C(C1CCC=C1)C2CCC3=CC=CC=C23
InChI
InChI=1S/C22H31NO2/c1-3-23(4-2)15-16-25-22(24)21(18-10-5-6-11-18)20-14-13-17-9-7-8-12-19(17)20/h5,7-10,12,18,20-21H,3-4,6,11,13-16H2,1-2H3
InChIKey
ARQVMMOJPKVAMG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 190.0
[M+Na]+ 364.224688 191.7
[M-H]- 340.228194 197.4
[M+NH4]+ 359.269293 207.6
[M+K]+ 380.198628 189.0
[M+H-H2O]+ 324.232730 182.2
[M+HCOO]- 386.233671 210.1
[M+CH3COO]- 400.249321 217.7
[M+Na-2H]- 362.210136 186.1
[M]+ 341.23492142 190.9
[M]- 341.23601858 190.9
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.