CID 6862419

2,3-dimethoxy-6-[2-(2-thienylcarbonyl)carbohydrazonoyl]benzoic acid

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC=CS2)C(=O)O)OC
InChI
InChI=1S/C15H14N2O5S/c1-21-10-6-5-9(12(15(19)20)13(10)22-2)8-16-17-14(18)11-4-3-7-23-11/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-8+
InChIKey
JYCNPZFYWHLFEG-LZYBPNLTSA-N
Compound name
2,3-dimethoxy-6-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06963 176.4
[M+Na]+ 357.05157 184.8
[M+NH4]+ 352.09617 181.7
[M+K]+ 373.02551 180.5
[M-H]- 333.05507 178.4
[M+Na-2H]- 355.03702 180.7
[M]+ 334.06180 178.1
[M]- 334.06290 178.1
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.