CID 5493684

N-(2-hydroxy-4-nitro-phenyl)-3,5-dimethoxy-benzamide

Structural Information

Molecular Formula
C15H14N2O6
SMILES
COC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC
InChI
InChI=1S/C15H14N2O6/c1-22-11-5-9(6-12(8-11)23-2)15(19)16-13-4-3-10(17(20)21)7-14(13)18/h3-8,18H,1-2H3,(H,16,19)
InChIKey
NWKBFCKDESCIQN-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-nitrophenyl)-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.08517 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09245 168.1
[M+Na]+ 341.07439 174.2
[M-H]- 317.07789 174.1
[M+NH4]+ 336.11899 180.4
[M+K]+ 357.04833 168.1
[M+H-H2O]+ 301.08243 164.4
[M+HCOO]- 363.08337 192.5
[M+CH3COO]- 377.09902 201.1
[M+Na-2H]- 339.05984 173.3
[M]+ 318.08462 169.4
[M]- 318.08572 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.