CID 586252

Benzamide, 3,4-dihydroxy-n-2-pyridinyl-

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=NC(=C1)NC(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H10N2O3/c15-9-5-4-8(7-10(9)16)12(17)14-11-3-1-2-6-13-11/h1-7,15-16H,(H,13,14,17)
InChIKey
ZJDKNRRVXPOOCG-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 148.5
[M+Na]+ 253.058358 156.0
[M-H]- 229.061864 151.8
[M+NH4]+ 248.102963 163.3
[M+K]+ 269.032298 152.2
[M+H-H2O]+ 213.066400 140.8
[M+HCOO]- 275.067341 170.1
[M+CH3COO]- 289.082991 186.6
[M+Na-2H]- 251.043806 154.6
[M]+ 230.06859142 146.6
[M]- 230.06968858 146.6
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

patents stripe