CID 5272624

Benzamide, n-(3,4-dimethoxyphenyl)-2,4,6-trihydroxy-3-nitro-

Structural Information

Molecular Formula
C15H14N2O8
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O)OC
InChI
InChI=1S/C15H14N2O8/c1-24-10-4-3-7(5-11(10)25-2)16-15(21)12-8(18)6-9(19)13(14(12)20)17(22)23/h3-6,18-20H,1-2H3,(H,16,21)
InChIKey
PORFTXOVWWLGPV-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)-2,4,6-trihydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.075 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08228 172.4
[M+Na]+ 373.06422 178.6
[M-H]- 349.06772 176.3
[M+NH4]+ 368.10882 182.2
[M+K]+ 389.03816 172.7
[M+H-H2O]+ 333.07226 168.9
[M+HCOO]- 395.07320 193.9
[M+CH3COO]- 409.08885 203.7
[M+Na-2H]- 371.04967 176.0
[M]+ 350.07445 173.6
[M]- 350.07555 173.6
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.