CID 38066

Brn 2788993

Structural Information

Molecular Formula
C30H33NO3
SMILES
C1CCC(CC1)N(CC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4
InChI
InChI=1S/C30H33NO3/c32-29(21-24-13-5-1-6-14-24)31(27-19-11-4-12-20-27)23-28(26-17-9-3-10-18-26)34-30(33)22-25-15-7-2-8-16-25/h1-3,5-10,13-18,27-28H,4,11-12,19-23H2
InChIKey
OWFVCZMQEWETGS-UHFFFAOYSA-N
Compound name
[2-[cyclohexyl-(2-phenylacetyl)amino]-1-phenylethyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.24603 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.25331 213.9
[M+Na]+ 478.23525 211.1
[M-H]- 454.23875 224.1
[M+NH4]+ 473.27985 219.8
[M+K]+ 494.20919 207.0
[M+H-H2O]+ 438.24329 201.2
[M+HCOO]- 500.24423 230.0
[M+CH3COO]- 514.25988 236.3
[M+Na-2H]- 476.22070 211.4
[M]+ 455.24548 209.5
[M]- 455.24658 209.5
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.