CID 726652

4-methyl-3-nitro-n-[4-(piperidin-1-yl)phenyl]benzamide

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O3/c1-14-5-6-15(13-18(14)22(24)25)19(23)20-16-7-9-17(10-8-16)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)
InChIKey
RPEJBBMOXVIEOT-UHFFFAOYSA-N
Compound name
4-methyl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 179.1
[M+Na]+ 362.14752 192.4
[M+NH4]+ 357.19212 186.3
[M+K]+ 378.12146 187.7
[M-H]- 338.15102 186.3
[M+Na-2H]- 360.13297 187.4
[M]+ 339.15775 182.8
[M]- 339.15885 182.8
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.