CID 103687562

2,5-dihydroxy-n-[(pyridin-4-yl)methyl]benzamide

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC(=C(C=C1O)C(=O)NCC2=CC=NC=C2)O
InChI
InChI=1S/C13H12N2O3/c16-10-1-2-12(17)11(7-10)13(18)15-8-9-3-5-14-6-4-9/h1-7,16-17H,8H2,(H,15,18)
InChIKey
KJGNPULECLNGER-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 154.4
[M+Na]+ 267.07402 166.9
[M+NH4]+ 262.11862 161.0
[M+K]+ 283.04796 161.4
[M-H]- 243.07752 157.0
[M+Na-2H]- 265.05947 162.0
[M]+ 244.08425 156.7
[M]- 244.08535 156.7
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.