CID 9588862

Ethyl 1-methyl-3-(((phenylmethylene)hydrazino)sulfonyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C14H16N4O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=CC=C2)C
InChI
InChI=1S/C14H16N4O4S/c1-3-22-14(19)12-10-18(2)16-13(12)23(20,21)17-15-9-11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3/b15-9+
InChIKey
DVFZRUNWNRDADG-OQLLNIDSSA-N
Compound name
ethyl 3-[[(E)-benzylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08923 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09651 176.3
[M+Na]+ 359.07845 184.2
[M-H]- 335.08195 182.5
[M+NH4]+ 354.12305 189.5
[M+K]+ 375.05239 180.9
[M+H-H2O]+ 319.08649 167.6
[M+HCOO]- 381.08743 196.2
[M+CH3COO]- 395.10308 210.7
[M+Na-2H]- 357.06390 179.4
[M]+ 336.08868 182.1
[M]- 336.08978 182.1
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.