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]+ 294.20638 171.9
[M+Na]+ 316.18832 177.7
[M-H]- 292.19182 176.7
[M+NH4]+ 311.23292 188.3
[M+K]+ 332.16226 177.3
[M+H-H2O]+ 276.19636 164.7
[M+HCOO]- 338.19730 194.2
[M+CH3COO]- 352.21295 213.6
[M+Na-2H]- 314.17377 170.9
[M]+ 293.19855 178.7
[M]- 293.19965 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.