CID 3068541

N-benzyl-n-phenylacetylaminophenylacetic acid methyl ester

Structural Information

Molecular Formula
C24H23NO3
SMILES
COC(=O)C(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H23NO3/c1-28-24(27)23(21-15-9-4-10-16-21)25(18-20-13-7-3-8-14-20)22(26)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3
InChIKey
AXPDBEILXSPVLT-UHFFFAOYSA-N
Compound name
methyl 2-[benzyl-(2-phenylacetyl)amino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.175076 192.2
[M+Na]+ 396.157018 194.2
[M-H]- 372.160524 201.6
[M+NH4]+ 391.201623 202.7
[M+K]+ 412.130958 191.1
[M+H-H2O]+ 356.165060 181.4
[M+HCOO]- 418.166001 213.7
[M+CH3COO]- 432.181651 221.7
[M+Na-2H]- 394.142466 193.3
[M]+ 373.16725142 193.0
[M]- 373.16834858 193.0
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.