CID 9588869

Methyl 3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-2-thiophenecarboxylate

Structural Information

Molecular Formula
C13H11N3O6S2
SMILES
COC(=O)C1=C(C=CS1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O6S2/c1-22-13(17)12-11(6-7-23-12)24(20,21)15-14-8-9-2-4-10(5-3-9)16(18)19/h2-8,15H,1H3/b14-8+
InChIKey
NRSYSRUFJWSPPF-RIYZIHGNSA-N
Compound name
methyl 3-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.00894 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01622 175.9
[M+Na]+ 391.99816 183.8
[M+NH4]+ 387.04276 180.9
[M+K]+ 407.97210 181.1
[M-H]- 368.00166 178.6
[M+Na-2H]- 389.98361 180.7
[M]+ 369.00839 178.1
[M]- 369.00949 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.