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]+ 342.24275 190.0
[M+Na]+ 364.22469 191.7
[M-H]- 340.22819 197.4
[M+NH4]+ 359.26929 207.6
[M+K]+ 380.19863 189.0
[M+H-H2O]+ 324.23273 182.2
[M+HCOO]- 386.23367 210.1
[M+CH3COO]- 400.24932 217.7
[M+Na-2H]- 362.21014 186.1
[M]+ 341.23492 190.9
[M]- 341.23602 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.