CID 17918

2893-70-1

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC)N(C)C
InChI
InChI=1S/C21H27NO3/c1-17(22(2)3)15-16-25-20(23)21(24-4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKey
UNHWEZWCYRZLCZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)butyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.7
[M+Na]+ 364.18832 187.4
[M-H]- 340.19182 191.5
[M+NH4]+ 359.23292 197.6
[M+K]+ 380.16226 186.0
[M+H-H2O]+ 324.19636 175.7
[M+HCOO]- 386.19730 205.4
[M+CH3COO]- 400.21295 217.8
[M+Na-2H]- 362.17377 187.1
[M]+ 341.19855 188.5
[M]- 341.19965 188.5
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.