CID 56958

95623-02-2

Structural Information

Molecular Formula
C24H25NO2
SMILES
CN(C)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25NO2/c1-25(2)22(19-12-6-3-7-13-19)18-27-24(26)23(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23H,18H2,1-2H3
InChIKey
ATBCRYWFHORPRP-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-2-phenylethyl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 189.8
[M+Na]+ 382.17776 191.6
[M-H]- 358.18126 199.2
[M+NH4]+ 377.22236 201.0
[M+K]+ 398.15170 188.3
[M+H-H2O]+ 342.18580 179.2
[M+HCOO]- 404.18674 210.9
[M+CH3COO]- 418.20239 221.1
[M+Na-2H]- 380.16321 190.9
[M]+ 359.18799 190.1
[M]- 359.18909 190.1
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.