CID 5493000

Lg 254

Structural Information

Molecular Formula
C20H23N3O4
SMILES
CC1CCCN(C1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H23N3O4/c1-14-3-2-10-22(12-14)13-16-11-17(6-9-19(16)24)21-20(25)15-4-7-18(8-5-15)23(26)27/h4-9,11,14,24H,2-3,10,12-13H2,1H3,(H,21,25)
InChIKey
IOPRUCNTTVVHEV-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-[(3-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 186.3
[M+Na]+ 392.15807 188.4
[M-H]- 368.16157 192.4
[M+NH4]+ 387.20267 194.4
[M+K]+ 408.13201 179.8
[M+H-H2O]+ 352.16611 180.4
[M+HCOO]- 414.16705 204.2
[M+CH3COO]- 428.18270 211.6
[M+Na-2H]- 390.14352 188.6
[M]+ 369.16830 180.1
[M]- 369.16940 180.1
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.