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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 159.8
[M+Na]+ 292.06927 172.0
[M+NH4]+ 287.11387 167.2
[M+K]+ 308.04321 168.0
[M-H]- 268.07277 166.5
[M+Na-2H]- 290.05472 166.3
[M]+ 269.07950 163.2
[M]- 269.08060 163.2
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.