CID 5493167

Lg 260

Structural Information

Molecular Formula
C20H23N3O4
SMILES
CC1CCCCN1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H23N3O4/c1-14-4-2-3-11-22(14)13-16-12-17(7-10-19(16)24)21-20(25)15-5-8-18(9-6-15)23(26)27/h5-10,12,14,24H,2-4,11,13H2,1H3,(H,21,25)
InChIKey
PYLZOCKUJLCKRH-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 186.6
[M+Na]+ 392.15807 199.0
[M+NH4]+ 387.20267 192.7
[M+K]+ 408.13201 195.2
[M-H]- 368.16157 192.9
[M+Na-2H]- 390.14352 193.4
[M]+ 369.16830 189.8
[M]- 369.16940 189.8
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.