CID 199367

4071-30-1

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-20(19-26(2)3)25(22-15-9-5-10-16-22,23-17-11-6-12-18-23)28-24(27)21-13-7-4-8-14-21/h4-18,20H,19H2,1-3H3
InChIKey
UHBPWMGWCTWIFE-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2-methyl-1,1-diphenylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2042 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 193.1
[M+Na]+ 396.19342 195.3
[M-H]- 372.19692 202.6
[M+NH4]+ 391.23802 204.0
[M+K]+ 412.16736 191.8
[M+H-H2O]+ 356.20146 182.8
[M+HCOO]- 418.20240 213.4
[M+CH3COO]- 432.21805 223.5
[M+Na-2H]- 394.17887 195.8
[M]+ 373.20365 193.9
[M]- 373.20475 193.9
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

No patent data available for this compound.