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

5
Patents

230.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 148.5
[M+Na]+ 253.05836 156.0
[M-H]- 229.06186 151.8
[M+NH4]+ 248.10296 163.3
[M+K]+ 269.03230 152.2
[M+H-H2O]+ 213.06640 140.8
[M+HCOO]- 275.06734 170.1
[M+CH3COO]- 289.08299 186.6
[M+Na-2H]- 251.04381 154.6
[M]+ 230.06859 146.6
[M]- 230.06969 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