CID 162228

Verazidum

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₃

SMILES

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=NC=C2)OC

InChI

InChI=1S/C15H15N3O3/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12/h3-10H,1-2H3,(H,18,19)

InChIKey

HPXIKMBHOXLFOR-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 184
Patents: 285.11133 Da
Monoisotopic Mass: 1.7
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]+	286.11861	164.1
[M+Na]+	308.10055	170.9
[M-H]-	284.10405	171.0
[M+NH4]+	303.14515	178.3
[M+K]+	324.07449	168.5
[M+H-H2O]+	268.10859	154.5
[M+HCOO]-	330.10953	190.4
[M+CH3COO]-	344.12518	206.5
[M+Na-2H]-	306.08600	170.5
[M]+	285.11078	167.3
[M]-	285.11188	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe