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 153.0
[M+Na]+ 267.07402 160.0
[M-H]- 243.07752 156.1
[M+NH4]+ 262.11862 167.2
[M+K]+ 283.04796 156.0
[M+H-H2O]+ 227.08206 145.1
[M+HCOO]- 289.08300 174.3
[M+CH3COO]- 303.09865 189.6
[M+Na-2H]- 265.05947 158.6
[M]+ 244.08425 151.5
[M]- 244.08535 151.5
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.