CID 213889

27242-00-8

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CN3CCCCC3
InChI
InChI=1S/C21H26N2O/c1-18-10-12-20(13-11-18)23(16-19-8-4-2-5-9-19)21(24)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKey
WGTGOWXYXZPAOJ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.6
[M+Na]+ 345.19372 181.4
[M-H]- 321.19722 187.3
[M+NH4]+ 340.23832 191.5
[M+K]+ 361.16766 177.4
[M+H-H2O]+ 305.20176 168.6
[M+HCOO]- 367.20270 198.1
[M+CH3COO]- 381.21835 213.3
[M+Na-2H]- 343.17917 181.2
[M]+ 322.20395 175.4
[M]- 322.20505 175.4
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.