CID 9588857

Ethyl 3-((((4-methoxyphenyl)methylene)hydrazino)sulfonyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C14H16N4O5S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H16N4O5S/c1-3-23-14(19)12-9-15-17-13(12)24(20,21)18-16-8-10-4-6-11(22-2)7-5-10/h4-9,18H,3H2,1-2H3,(H,15,17)/b16-8+
InChIKey
RXVMXJADMGCFDU-LZYBPNLTSA-N
Compound name
ethyl 5-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08414 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09142 178.5
[M+Na]+ 375.07336 185.5
[M-H]- 351.07686 183.2
[M+NH4]+ 370.11796 190.2
[M+K]+ 391.04730 182.1
[M+H-H2O]+ 335.08140 169.9
[M+HCOO]- 397.08234 197.1
[M+CH3COO]- 411.09799 210.7
[M+Na-2H]- 373.05881 181.6
[M]+ 352.08359 183.7
[M]- 352.08469 183.7
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.