CID 109245

68228-09-1

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCOC(=O)C1=CC=CC=C1NCC2CCC(=CC2C)C
InChI
InChI=1S/C18H25NO2/c1-4-21-18(20)16-7-5-6-8-17(16)19-12-15-10-9-13(2)11-14(15)3/h5-8,11,14-15,19H,4,9-10,12H2,1-3H3
InChIKey
LMNKTHVCBXOUSI-UHFFFAOYSA-N
Compound name
ethyl 2-[(2,4-dimethylcyclohex-3-en-1-yl)methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

287.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 170.8
[M+Na]+ 310.17776 182.8
[M+NH4]+ 305.22236 178.7
[M+K]+ 326.15170 175.2
[M-H]- 286.18126 175.4
[M+Na-2H]- 308.16321 177.4
[M]+ 287.18799 173.7
[M]- 287.18909 173.7
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