CID 56832

94916-96-8

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCC#N
InChI
InChI=1S/C21H24N2O3/c1-23(2)15-17-25-20(24)21(26-16-9-14-22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13H,9,15-17H2,1-2H3
InChIKey
CMLBQOVLDTVUPX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-cyanoethoxy)-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 191.2
[M+Na]+ 375.167898 196.7
[M-H]- 351.171404 196.2
[M+NH4]+ 370.212503 202.0
[M+K]+ 391.141838 192.7
[M+H-H2O]+ 335.175940 175.4
[M+HCOO]- 397.176881 209.0
[M+CH3COO]- 411.192531 226.6
[M+Na-2H]- 373.153346 193.5
[M]+ 352.17813142 189.4
[M]- 352.17922858 189.4
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.