CID 5493166

Lg 253

Structural Information

Molecular Formula
C19H21N3O4
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C19H21N3O4/c23-18-9-6-16(12-15(18)13-21-10-2-1-3-11-21)20-19(24)14-4-7-17(8-5-14)22(25)26/h4-9,12,23H,1-3,10-11,13H2,(H,20,24)
InChIKey
CGJLLMAJUPUPGT-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 182.0
[M+Na]+ 378.14242 194.2
[M+NH4]+ 373.18702 188.3
[M+K]+ 394.11636 190.4
[M-H]- 354.14592 188.2
[M+Na-2H]- 376.12787 189.3
[M]+ 355.15265 185.1
[M]- 355.15375 185.1
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.