CID 9588861

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

Structural Information

Molecular Formula
C15H18N4O5S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C15H18N4O5S/c1-4-24-15(20)13-10-19(2)17-14(13)25(21,22)18-16-9-11-5-7-12(23-3)8-6-11/h5-10,18H,4H2,1-3H3/b16-9+
InChIKey
OUEWYSUXQHMKOK-CXUHLZMHSA-N
Compound name
ethyl 3-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10708 183.3
[M+Na]+ 389.08902 191.2
[M-H]- 365.09252 189.6
[M+NH4]+ 384.13362 195.4
[M+K]+ 405.06296 188.3
[M+H-H2O]+ 349.09706 174.5
[M+HCOO]- 411.09800 203.0
[M+CH3COO]- 425.11365 217.2
[M+Na-2H]- 387.07447 185.5
[M]+ 366.09925 191.1
[M]- 366.10035 191.1
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.