CID 116117

Benzilic acid, diisopropylaminomethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC(C)N(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)C
InChI
InChI=1S/C21H27NO3/c1-16(2)22(17(3)4)15-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,24H,15H2,1-4H3
InChIKey
AZSRBTDBDSOAON-UHFFFAOYSA-N
Compound name
[di(propan-2-yl)amino]methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 184.0
[M+Na]+ 364.188318 186.0
[M-H]- 340.191824 189.5
[M+NH4]+ 359.232923 196.2
[M+K]+ 380.162258 184.4
[M+H-H2O]+ 324.196360 175.6
[M+HCOO]- 386.197301 202.3
[M+CH3COO]- 400.212951 216.3
[M+Na-2H]- 362.173766 184.9
[M]+ 341.19855142 185.4
[M]- 341.19964858 185.4
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.