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]+ 366.20638 189.7
[M+Na]+ 388.18832 189.2
[M-H]- 364.19182 198.2
[M+NH4]+ 383.23292 200.4
[M+K]+ 404.16226 186.9
[M+H-H2O]+ 348.19636 179.3
[M+HCOO]- 410.19730 207.4
[M+CH3COO]- 424.21295 219.9
[M+Na-2H]- 386.17377 188.6
[M]+ 365.19855 186.1
[M]- 365.19965 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.