CID 6870681

Inh 3,4medioxyp

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H11N3O3/c18-14(11-3-5-15-6-4-11)17-16-8-10-1-2-12-13(7-10)20-9-19-12/h1-8H,9H2,(H,17,18)/b16-8+
InChIKey
QWWUORAVCMVHAQ-LZYBPNLTSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.08005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 158.1
[M+Na]+ 292.06927 165.1
[M-H]- 268.07277 167.0
[M+NH4]+ 287.11387 172.8
[M+K]+ 308.04321 164.3
[M+H-H2O]+ 252.07731 149.6
[M+HCOO]- 314.07825 182.0
[M+CH3COO]- 328.09390 170.6
[M+Na-2H]- 290.05472 166.4
[M]+ 269.07950 160.0
[M]- 269.08060 160.0
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.