CID 9554607

2-pyridinecarboxaldehyde, o-((1,3-benzodioxol-5-yl)carbamoyl)oxime

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)O/N=C/C3=CC=CC=N3
InChI
InChI=1S/C14H11N3O4/c18-14(21-16-8-11-3-1-2-6-15-11)17-10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2,(H,17,18)/b16-8+
InChIKey
SYJZGDIQJIDGDL-LZYBPNLTSA-N
Compound name
[(E)-pyridin-2-ylmethylideneamino] N-(1,3-benzodioxol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 162.9
[M+Na]+ 308.06417 174.6
[M+NH4]+ 303.10877 169.8
[M+K]+ 324.03811 171.2
[M-H]- 284.06767 169.2
[M+Na-2H]- 306.04962 169.0
[M]+ 285.07440 166.1
[M]- 285.07550 166.1
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.