CID 138752581

Niosh/dp0420000

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]+ 368.22203 191.1
[M+Na]+ 390.20397 202.5
[M+NH4]+ 385.24857 198.7
[M+K]+ 406.17791 195.0
[M-H]- 366.20747 197.6
[M+Na-2H]- 388.18942 199.5
[M]+ 367.21420 194.4
[M]- 367.21530 194.4
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.