CID 210630

2-(cyclohexylmethylamino)ethyl benzilate

Structural Information

Molecular Formula
C23H29NO3
SMILES
CN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCCCC3
InChI
InChI=1S/C23H29NO3/c1-24(21-15-9-4-10-16-21)17-18-27-22(25)23(26,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21,26H,4,9-10,15-18H2,1H3
InChIKey
QOQASOIBPDSQCL-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 189.3
[M+Na]+ 390.203968 189.0
[M-H]- 366.207474 196.5
[M+NH4]+ 385.248573 199.5
[M+K]+ 406.177908 185.9
[M+H-H2O]+ 350.212010 179.4
[M+HCOO]- 412.212951 205.7
[M+CH3COO]- 426.228601 217.5
[M+Na-2H]- 388.189416 191.1
[M]+ 367.21420142 185.4
[M]- 367.21529858 185.4
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.