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]+ 353.18596 188.0
[M+Na]+ 375.16790 198.4
[M+NH4]+ 370.21250 190.9
[M+K]+ 391.14184 188.5
[M-H]- 351.17140 183.8
[M+Na-2H]- 373.15335 192.3
[M]+ 352.17813 187.4
[M]- 352.17923 187.4
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.