CID 41547

55707-74-9

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N(C)C(=O)CN3CCCCC3
InChI
InChI=1S/C22H27N3O2/c1-17-10-12-18(13-11-17)23-22(27)19-8-4-5-9-20(19)24(2)21(26)16-25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,27)
InChIKey
JOBYFSLGKZGUKV-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-[methyl-(2-piperidin-1-ylacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 189.5
[M+Na]+ 388.19955 190.9
[M-H]- 364.20305 197.5
[M+NH4]+ 383.24415 199.4
[M+K]+ 404.17349 187.4
[M+H-H2O]+ 348.20759 178.4
[M+HCOO]- 410.20853 208.1
[M+CH3COO]- 424.22418 224.1
[M+Na-2H]- 386.18500 189.5
[M]+ 365.20978 185.5
[M]- 365.21088 185.5
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

patents stripe