CID 9588874

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

Structural Information

Molecular Formula
C13H11N3O6S2
SMILES
COC(=O)C1=CSC=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O6S2/c1-22-13(17)11-7-23-8-12(11)24(20,21)15-14-6-9-2-4-10(5-3-9)16(18)19/h2-8,15H,1H3/b14-6+
InChIKey
BDOVETFJWDIULQ-MKMNVTDBSA-N
Compound name
methyl 4-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.00894 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01622 181.0
[M+Na]+ 391.99816 186.0
[M-H]- 368.00166 188.5
[M+NH4]+ 387.04276 193.7
[M+K]+ 407.97210 177.6
[M+H-H2O]+ 352.00620 177.4
[M+HCOO]- 414.00714 198.3
[M+CH3COO]- 428.02279 207.3
[M+Na-2H]- 389.98361 186.3
[M]+ 369.00839 183.1
[M]- 369.00949 183.1
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.