CID 54179

C 3181

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCCCN(C1=CC=C(C=C1)C(=O)OCCCC)C(=O)CN2CCCCC2
InChI
InChI=1S/C22H34N2O3/c1-3-5-16-24(21(25)18-23-14-8-7-9-15-23)20-12-10-19(11-13-20)22(26)27-17-6-4-2/h10-13H,3-9,14-18H2,1-2H3
InChIKey
CWGHISUYLPGSKP-UHFFFAOYSA-N
Compound name
butyl 4-[butyl-(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 195.8
[M+Na]+ 397.24618 195.8
[M-H]- 373.24968 199.8
[M+NH4]+ 392.29078 205.9
[M+K]+ 413.22012 193.4
[M+H-H2O]+ 357.25422 185.3
[M+HCOO]- 419.25516 212.3
[M+CH3COO]- 433.27081 223.8
[M+Na-2H]- 395.23163 193.3
[M]+ 374.25641 196.2
[M]- 374.25751 196.2
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.