CID 9588870

Methyl 4-((((4-methoxyphenyl)methylene)hydrazino)sulfonyl)-3-thiophenecarboxylate

Structural Information

Molecular Formula
C14H14N2O5S2
SMILES
COC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CSC=C2C(=O)OC
InChI
InChI=1S/C14H14N2O5S2/c1-20-11-5-3-10(4-6-11)7-15-16-23(18,19)13-9-22-8-12(13)14(17)21-2/h3-9,16H,1-2H3/b15-7+
InChIKey
VSXNROVGQVLRTD-VIZOYTHASA-N
Compound name
methyl 4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.03442 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04170 180.6
[M+Na]+ 377.02364 188.0
[M-H]- 353.02714 188.5
[M+NH4]+ 372.06824 195.6
[M+K]+ 392.99758 183.9
[M+H-H2O]+ 337.03168 173.2
[M+HCOO]- 399.03262 197.3
[M+CH3COO]- 413.04827 211.7
[M+Na-2H]- 375.00909 182.5
[M]+ 354.03387 187.5
[M]- 354.03497 187.5
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.