CID 28792

17822-58-1

Structural Information

Molecular Formula
C24H31NO2
SMILES
CCN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C24H31NO2/c1-2-25(22-16-10-5-11-17-22)18-19-27-24(26)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,22-23H,2,5,10-11,16-19H2,1H3
InChIKey
NARLHODMHOCKII-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(ethyl)amino]ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24275 192.3
[M+Na]+ 388.22469 191.3
[M-H]- 364.22819 200.4
[M+NH4]+ 383.26929 203.2
[M+K]+ 404.19863 188.1
[M+H-H2O]+ 348.23273 181.5
[M+HCOO]- 410.23367 210.2
[M+CH3COO]- 424.24932 221.3
[M+Na-2H]- 386.21014 191.6
[M]+ 365.23492 188.9
[M]- 365.23602 188.9
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.