CID 120739

Metcaraphen

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC(=C(C=C2)C)C
InChI
InChI=1S/C20H31NO2/c1-5-21(6-2)13-14-23-19(22)20(11-7-8-12-20)18-10-9-16(3)17(4)15-18/h9-10,15H,5-8,11-14H2,1-4H3
InChIKey
PZXHGLCYRMTHNF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(3,4-dimethylphenyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

351
References

4746
Patents

317.23547 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 180.6
[M+Na]+ 340.22469 189.9
[M+NH4]+ 335.26929 189.5
[M+K]+ 356.19863 182.9
[M-H]- 316.22819 184.3
[M+Na-2H]- 338.21014 186.8
[M]+ 317.23492 183.0
[M]- 317.23602 183.0
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

patents stripe