CID 30641

Acetic acid, diphenyl-, 2-(cyclohexylmethylamino)ethyl ester

Structural Information

Molecular Formula
C23H29NO2
SMILES
CN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C23H29NO2/c1-24(21-15-9-4-10-16-21)17-18-26-23(25)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-22H,4,9-10,15-18H2,1H3
InChIKey
MAQJVEYKBVRPRR-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(methyl)amino]ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.8
[M+Na]+ 374.20904 200.4
[M+NH4]+ 369.25364 197.0
[M+K]+ 390.18298 192.1
[M-H]- 350.21254 195.7
[M+Na-2H]- 372.19449 197.8
[M]+ 351.21927 192.3
[M]- 351.22037 192.3
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.