CID 113956

63867-61-8

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CN(CCCCC1CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H30N2O2/c1-25(23(27)21-13-4-2-5-14-21)17-9-8-11-20-12-10-18-26(19-20)24(28)22-15-6-3-7-16-22/h2-7,13-16,20H,8-12,17-19H2,1H3
InChIKey
MXYRXKMNKUEGMW-UHFFFAOYSA-N
Compound name
N-[4-(1-benzoylpiperidin-3-yl)butyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 195.2
[M+Na]+ 401.219958 195.5
[M-H]- 377.223464 202.4
[M+NH4]+ 396.264563 204.4
[M+K]+ 417.193898 191.4
[M+H-H2O]+ 361.228000 183.6
[M+HCOO]- 423.228941 212.0
[M+CH3COO]- 437.244591 223.6
[M+Na-2H]- 399.205406 194.0
[M]+ 378.23019142 192.0
[M]- 378.23128858 192.0
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.