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]+ 374.211476 193.1
[M+Na]+ 396.193418 195.3
[M-H]- 372.196924 202.6
[M+NH4]+ 391.238023 204.0
[M+K]+ 412.167358 191.8
[M+H-H2O]+ 356.201460 182.8
[M+HCOO]- 418.202401 213.4
[M+CH3COO]- 432.218051 223.5
[M+Na-2H]- 394.178866 195.8
[M]+ 373.20365142 193.9
[M]- 373.20474858 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.