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]+ 342.20638 184.0
[M+Na]+ 364.18832 186.0
[M-H]- 340.19182 189.5
[M+NH4]+ 359.23292 196.2
[M+K]+ 380.16226 184.4
[M+H-H2O]+ 324.19636 175.6
[M+HCOO]- 386.19730 202.3
[M+CH3COO]- 400.21295 216.3
[M+Na-2H]- 362.17377 184.9
[M]+ 341.19855 185.4
[M]- 341.19965 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.