CID 13768

Benzacin hydrochloride

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H21NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,21H,13-14H2,1-2H3
InChIKey
BUEPKUNNPRRSKV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

71
Patents

299.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.5
[M+Na]+ 322.14135 182.9
[M+NH4]+ 317.18595 178.5
[M+K]+ 338.11529 177.0
[M-H]- 298.14485 174.9
[M+Na-2H]- 320.12680 179.7
[M]+ 299.15158 174.0
[M]- 299.15268 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe