CID 3068540

83529-26-4

Structural Information

Molecular Formula
C23H27NO3
SMILES
COC(=O)C(C1=CC=CC=C1)N(C2CCCCC2)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/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/h2-3,5-8,11-14,20,22H,4,9-10,15-17H2,1H3
InChIKey
PVOQFFKWKISSPW-UHFFFAOYSA-N
Compound name
methyl 2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 189.7
[M+Na]+ 388.188318 189.2
[M-H]- 364.191824 198.2
[M+NH4]+ 383.232923 200.4
[M+K]+ 404.162258 186.9
[M+H-H2O]+ 348.196360 179.3
[M+HCOO]- 410.197301 207.4
[M+CH3COO]- 424.212951 219.9
[M+Na-2H]- 386.173766 188.6
[M]+ 365.19855142 186.1
[M]- 365.19964858 186.1
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.