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 181.2
[M+Na]+ 378.14242 182.8
[M-H]- 354.14592 187.1
[M+NH4]+ 373.18702 189.6
[M+K]+ 394.11636 174.4
[M+H-H2O]+ 338.15046 175.3
[M+HCOO]- 400.15140 199.5
[M+CH3COO]- 414.16705 207.4
[M+Na-2H]- 376.12787 184.8
[M]+ 355.15265 174.2
[M]- 355.15375 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.