CID 109245

Dtxsid1052404

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
3
Annotation Hits

0
References

7
Patents

287.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 170.1
[M+Na]+ 310.177758 174.8
[M-H]- 286.181264 176.1
[M+NH4]+ 305.222363 185.6
[M+K]+ 326.151698 171.5
[M+H-H2O]+ 270.185800 162.1
[M+HCOO]- 332.186741 190.9
[M+CH3COO]- 346.202391 206.5
[M+Na-2H]- 308.163206 171.1
[M]+ 287.18799142 169.6
[M]- 287.18908858 169.6
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

patents stripe