CID 80427

Gallanilide

Structural Information

Molecular Formula
C13H11NO4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C13H11NO4/c15-10-6-8(7-11(16)12(10)17)13(18)14-9-4-2-1-3-5-9/h1-7,15-17H,(H,14,18)
InChIKey
HLVGXGQCLASQJU-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

83
Patents

245.0688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 151.7
[M+Na]+ 268.05802 159.1
[M-H]- 244.06152 155.3
[M+NH4]+ 263.10262 166.7
[M+K]+ 284.03196 155.2
[M+H-H2O]+ 228.06606 145.0
[M+HCOO]- 290.06700 173.0
[M+CH3COO]- 304.08265 188.2
[M+Na-2H]- 266.04347 156.0
[M]+ 245.06825 149.7
[M]- 245.06935 149.7
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