CID 40212

Brn 2746052

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCOC(=O)C1=C(C=CC(=C1OCCN(C)C)C(C)C)C
InChI
InChI=1S/C17H27NO3/c1-7-20-17(19)15-13(4)8-9-14(12(2)3)16(15)21-11-10-18(5)6/h8-9,12H,7,10-11H2,1-6H3
InChIKey
LGUQLTCUYSWFIN-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 171.9
[M+Na]+ 316.188318 177.7
[M-H]- 292.191824 176.7
[M+NH4]+ 311.232923 188.3
[M+K]+ 332.162258 177.3
[M+H-H2O]+ 276.196360 164.7
[M+HCOO]- 338.197301 194.2
[M+CH3COO]- 352.212951 213.6
[M+Na-2H]- 314.173766 170.9
[M]+ 293.19855142 178.7
[M]- 293.19964858 178.7
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

No patent data available for this compound.