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]+ 368.22203 189.3
[M+Na]+ 390.20397 189.0
[M-H]- 366.20747 196.5
[M+NH4]+ 385.24857 199.5
[M+K]+ 406.17791 185.9
[M+H-H2O]+ 350.21201 179.4
[M+HCOO]- 412.21295 205.7
[M+CH3COO]- 426.22860 217.5
[M+Na-2H]- 388.18942 191.1
[M]+ 367.21420 185.4
[M]- 367.21530 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.