CID 9588863

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

Structural Information

Molecular Formula
C14H15ClN4O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C14H15ClN4O4S/c1-3-23-14(20)12-9-19(2)17-13(12)24(21,22)18-16-8-10-4-6-11(15)7-5-10/h4-9,18H,3H2,1-2H3/b16-8+
InChIKey
LGKYQNBUOBKUDL-LZYBPNLTSA-N
Compound name
ethyl 3-[[(E)-(4-chlorophenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.05026 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05754 183.4
[M+Na]+ 393.03948 192.6
[M-H]- 369.04298 190.0
[M+NH4]+ 388.08408 196.4
[M+K]+ 409.01342 187.9
[M+H-H2O]+ 353.04752 175.6
[M+HCOO]- 415.04846 198.6
[M+CH3COO]- 429.06411 215.5
[M+Na-2H]- 391.02493 185.3
[M]+ 370.04971 191.5
[M]- 370.05081 191.5
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.