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 191.2
[M+Na]+ 375.16790 196.7
[M-H]- 351.17140 196.2
[M+NH4]+ 370.21250 202.0
[M+K]+ 391.14184 192.7
[M+H-H2O]+ 335.17594 175.4
[M+HCOO]- 397.17688 209.0
[M+CH3COO]- 411.19253 226.6
[M+Na-2H]- 373.15335 193.5
[M]+ 352.17813 189.4
[M]- 352.17923 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.