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]+ 356.160476 181.2
[M+Na]+ 378.142418 182.8
[M-H]- 354.145924 187.1
[M+NH4]+ 373.187023 189.6
[M+K]+ 394.116358 174.4
[M+H-H2O]+ 338.150460 175.3
[M+HCOO]- 400.151401 199.5
[M+CH3COO]- 414.167051 207.4
[M+Na-2H]- 376.127866 184.8
[M]+ 355.15265142 174.2
[M]- 355.15374858 174.2
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.