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]+ 374.17508 192.2
[M+Na]+ 396.15702 194.2
[M-H]- 372.16052 201.6
[M+NH4]+ 391.20162 202.7
[M+K]+ 412.13096 191.1
[M+H-H2O]+ 356.16506 181.4
[M+HCOO]- 418.16600 213.7
[M+CH3COO]- 432.18165 221.7
[M+Na-2H]- 394.14247 193.3
[M]+ 373.16725 193.0
[M]- 373.16835 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.