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

literature stripe

Patent stripe

patents stripe