CID 482213

129228-01-9

Structural Information

Molecular Formula
C19H14N2O7
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C=C3O)O)[N+](=O)[O-])O
InChI
InChI=1S/C19H14N2O7/c22-14-10-15(23)17(21(26)27)18(24)16(14)19(25)20-11-6-8-13(9-7-11)28-12-4-2-1-3-5-12/h1-10,22-24H,(H,20,25)
InChIKey
SWRNFRDSVOHRAM-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-3-nitro-N-(4-phenoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

382.0801 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08738 182.6
[M+Na]+ 405.06932 187.1
[M-H]- 381.07282 189.0
[M+NH4]+ 400.11392 190.1
[M+K]+ 421.04326 179.4
[M+H-H2O]+ 365.07736 177.4
[M+HCOO]- 427.07830 203.6
[M+CH3COO]- 441.09395 208.4
[M+Na-2H]- 403.05477 187.1
[M]+ 382.07955 180.7
[M]- 382.08065 180.7
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

patents stripe