CID 242591

Dtxsid00419835

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₃

SMILES

C1=CC(=C(C=C1O)O)C=NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H11N3O3/c17-11-2-1-10(12(18)7-11)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,17-18H,(H,16,19)

InChIKey

CKBWTRSIUARPEC-UHFFFAOYSA-N

Compound name

N-[(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 9
Patents: 257.08005 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.08733	155.4
[M+Na]+	280.06927	162.3
[M-H]-	256.07277	159.9
[M+NH4]+	275.11387	169.3
[M+K]+	296.04321	158.6
[M+H-H2O]+	240.07731	146.8
[M+HCOO]-	302.07825	179.4
[M+CH3COO]-	316.09390	195.8
[M+Na-2H]-	278.05472	161.9
[M]+	257.07950	154.2
[M]-	257.08060	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe