CID 3068539

83529-25-3

Structural Information

Molecular Formula
C23H21NO3
SMILES
COC(=O)C(C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H21NO3/c1-27-23(26)22(19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)21(25)17-18-11-5-2-6-12-18/h2-16,22H,17H2,1H3
InChIKey
CWJMSZJUALDYRD-UHFFFAOYSA-N
Compound name
methyl 2-phenyl-2-(N-(2-phenylacetyl)anilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15941 187.5
[M+Na]+ 382.14135 190.0
[M-H]- 358.14485 197.3
[M+NH4]+ 377.18595 198.7
[M+K]+ 398.11529 187.1
[M+H-H2O]+ 342.14939 177.0
[M+HCOO]- 404.15033 209.4
[M+CH3COO]- 418.16598 218.8
[M+Na-2H]- 380.12680 189.3
[M]+ 359.15158 188.1
[M]- 359.15268 188.1
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.