CID 21570

Acetic acid, (allyloxy)diphenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC=C
InChI
InChI=1S/C21H25NO3/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3/h4-14H,1,15-17H2,2-3H3
InChIKey
ADPISLYRPJFQFP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-enoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 183.8
[M+Na]+ 362.17266 187.1
[M-H]- 338.17616 190.6
[M+NH4]+ 357.21726 196.8
[M+K]+ 378.14660 184.5
[M+H-H2O]+ 322.18070 174.7
[M+HCOO]- 384.18164 205.7
[M+CH3COO]- 398.19729 216.2
[M+Na-2H]- 360.15811 187.3
[M]+ 339.18289 187.5
[M]- 339.18399 187.5
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.