CID 6862419

2,3-dimethoxy-6-[(e)-(thiophene-2-carbonylhydrazinylidene)methyl]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]+ 335.069626 175.1
[M+Na]+ 357.051568 181.7
[M-H]- 333.055074 182.4
[M+NH4]+ 352.096173 190.2
[M+K]+ 373.025508 179.0
[M+H-H2O]+ 317.059610 167.4
[M+HCOO]- 379.060551 196.1
[M+CH3COO]- 393.076201 210.6
[M+Na-2H]- 355.037016 174.7
[M]+ 334.06180142 180.9
[M]- 334.06289858 180.9
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.