CID 44846

Butyric acid, 3-(n,n-dimethylamino)methyl-2,2-diphenyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
InChI
InChI=1S/C21H27NO2/c1-5-24-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey
PVTAHOMTQWLHSY-UHFFFAOYSA-N
Compound name
ethyl 4-(dimethylamino)-3-methyl-2,2-diphenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.1
[M+Na]+ 348.19342 192.6
[M+NH4]+ 343.23802 188.4
[M+K]+ 364.16736 186.0
[M-H]- 324.19692 185.2
[M+Na-2H]- 346.17887 189.2
[M]+ 325.20365 183.9
[M]- 325.20475 183.9
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.