CID 5272625

2,4,6-trihydroxy-3-nitro-n-(o-tolyl)benzamide

Structural Information

Molecular Formula
C14H12N2O6
SMILES
CC1=CC=CC=C1NC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O6/c1-7-4-2-3-5-8(7)15-14(20)11-9(17)6-10(18)12(13(11)19)16(21)22/h2-6,17-19H,1H3,(H,15,20)
InChIKey
MYDGDRNFNQDCIC-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-N-(2-methylphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.076826 162.8
[M+Na]+ 327.058768 169.3
[M-H]- 303.062274 166.7
[M+NH4]+ 322.103373 174.6
[M+K]+ 343.032708 162.0
[M+H-H2O]+ 287.066810 160.1
[M+HCOO]- 349.067751 184.5
[M+CH3COO]- 363.083401 194.6
[M+Na-2H]- 325.044216 167.0
[M]+ 304.06900142 160.6
[M]- 304.07009858 160.6
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.