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]+ 340.165576 179.1
[M+Na]+ 362.147518 181.4
[M-H]- 338.151024 186.4
[M+NH4]+ 357.192123 189.0
[M+K]+ 378.121458 173.1
[M+H-H2O]+ 322.155560 173.2
[M+HCOO]- 384.156501 198.7
[M+CH3COO]- 398.172151 207.8
[M+Na-2H]- 360.132966 182.7
[M]+ 339.15775142 172.6
[M]- 339.15884858 172.6
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.