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]+ 305.07683 162.8
[M+Na]+ 327.05877 169.3
[M-H]- 303.06227 166.7
[M+NH4]+ 322.10337 174.6
[M+K]+ 343.03271 162.0
[M+H-H2O]+ 287.06681 160.1
[M+HCOO]- 349.06775 184.5
[M+CH3COO]- 363.08340 194.6
[M+Na-2H]- 325.04422 167.0
[M]+ 304.06900 160.6
[M]- 304.07010 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.