CID 21570

5432-89-3

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]+ 340.190716 183.8
[M+Na]+ 362.172658 187.1
[M-H]- 338.176164 190.6
[M+NH4]+ 357.217263 196.8
[M+K]+ 378.146598 184.5
[M+H-H2O]+ 322.180700 174.7
[M+HCOO]- 384.181641 205.7
[M+CH3COO]- 398.197291 216.2
[M+Na-2H]- 360.158106 187.3
[M]+ 339.18289142 187.5
[M]- 339.18398858 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.