CID 309230

Cbdive_014628

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₃

SMILES

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C14H11N3O3/c18-14(11-2-1-5-15-8-11)17-16-7-10-3-4-12-13(6-10)20-9-19-12/h1-8H,9H2,(H,17,18)

InChIKey

GRDUOCQGQPFYBD-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-ylmethylideneamino)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.08005 Da
Monoisotopic Mass: 1.6
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]+	270.087326	158.1
[M+Na]+	292.069268	165.1
[M-H]-	268.072774	167.0
[M+NH4]+	287.113873	172.8
[M+K]+	308.043208	164.3
[M+H-H2O]+	252.077310	149.6
[M+HCOO]-	314.078251	182.0
[M+CH3COO]-	328.093901	170.6
[M+Na-2H]-	290.054716	166.4
[M]+	269.07950142	160.0
[M]-	269.08059858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.