CID 3043568

Brn 1267436

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CN3CCCCC3
InChI
InChI=1S/C21H25N3O2/c1-16-9-11-17(12-10-16)22-21(26)18-7-3-4-8-19(18)23-20(25)15-24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKey
RZOBAKJSUXZZIY-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-[(2-piperidin-1-ylacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 184.9
[M+Na]+ 374.183888 186.6
[M-H]- 350.187394 191.7
[M+NH4]+ 369.228493 194.8
[M+K]+ 390.157828 182.0
[M+H-H2O]+ 334.191930 174.2
[M+HCOO]- 396.192871 203.4
[M+CH3COO]- 410.208521 217.9
[M+Na-2H]- 372.169336 186.2
[M]+ 351.19412142 179.4
[M]- 351.19521858 179.4
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.