CID 52433

Wv 835

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2)C(C)C)OCCN(C)C
InChI
InChI=1S/C21H27NO3/c1-15(2)18-14-19(25-21(23)17-9-7-6-8-10-17)16(3)13-20(18)24-12-11-22(4)5/h6-10,13-15H,11-12H2,1-5H3
InChIKey
COMSPRHLOPDHLM-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 183.9
[M+Na]+ 364.18832 196.3
[M+NH4]+ 359.23292 190.8
[M+K]+ 380.16226 189.6
[M-H]- 340.19182 188.3
[M+Na-2H]- 362.17377 190.9
[M]+ 341.19855 186.9
[M]- 341.19965 186.9
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