CID 138752581

Benzyl alcohol, alpha-(methylcyclohexylamino)-, o-methoxybenzoate (ester)

Structural Information

Molecular Formula
C23H29NO3
SMILES
CN(CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2OC)C3CCCCC3
InChI
InChI=1S/C23H29NO3/c1-24(19-13-7-4-8-14-19)17-22(18-11-5-3-6-12-18)27-23(25)20-15-9-10-16-21(20)26-2/h3,5-6,9-12,15-16,19,22H,4,7-8,13-14,17H2,1-2H3
InChIKey
ZLLOTBDCDCECOR-UHFFFAOYSA-N
Compound name
[2-[cyclohexyl(methyl)amino]-1-phenylethyl] 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 190.7
[M+Na]+ 390.203968 191.0
[M-H]- 366.207474 199.5
[M+NH4]+ 385.248573 201.8
[M+K]+ 406.177908 188.8
[M+H-H2O]+ 350.212010 180.2
[M+HCOO]- 412.212951 209.2
[M+CH3COO]- 426.228601 221.6
[M+Na-2H]- 388.189416 190.0
[M]+ 367.21420142 188.9
[M]- 367.21529858 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.