CID 3101366

N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C14H11N3O6
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O6/c1-23-11-5-6-12(13(8-11)17(21)22)15-14(18)9-3-2-4-10(7-9)16(19)20/h2-8H,1H3,(H,15,18)
InChIKey
YKZOYVJRPCTZFS-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0648 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07208 168.4
[M+Na]+ 340.05402 172.5
[M-H]- 316.05752 175.0
[M+NH4]+ 335.09862 179.5
[M+K]+ 356.02796 162.4
[M+H-H2O]+ 300.06206 168.5
[M+HCOO]- 362.06300 194.0
[M+CH3COO]- 376.07865 197.0
[M+Na-2H]- 338.03947 175.9
[M]+ 317.06425 166.1
[M]- 317.06535 166.1
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.