CID 6433573

Aconiazide

Structural Information

Molecular Formula
C15H13N3O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=NC=C2)OCC(=O)O
InChI
InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-9H,10H2,(H,18,21)(H,19,20)/b17-9+
InChIKey
MDFXJBQEWLCGHP-RQZCQDPDSA-N
Compound name
2-[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

288
Patents

299.0906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 165.7
[M+Na]+ 322.07982 170.9
[M-H]- 298.08332 170.9
[M+NH4]+ 317.12442 178.0
[M+K]+ 338.05376 168.3
[M+H-H2O]+ 282.08786 156.1
[M+HCOO]- 344.08880 189.9
[M+CH3COO]- 358.10445 205.2
[M+Na-2H]- 320.06527 171.3
[M]+ 299.09005 166.7
[M]- 299.09115 166.7
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.