CID 9588864

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

Structural Information

Molecular Formula
C15H15N5O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N)C
InChI
InChI=1S/C15H15N5O4S/c1-3-24-15(21)13-10-20(2)18-14(13)25(22,23)19-17-9-12-6-4-11(8-16)5-7-12/h4-7,9-10,19H,3H2,1-2H3/b17-9+
InChIKey
BHTSGLOEZSKGKQ-RQZCQDPDSA-N
Compound name
ethyl 3-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08447 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09175 190.3
[M+Na]+ 384.07369 199.4
[M-H]- 360.07719 194.8
[M+NH4]+ 379.11829 200.7
[M+K]+ 400.04763 196.1
[M+H-H2O]+ 344.08173 174.4
[M+HCOO]- 406.08267 205.4
[M+CH3COO]- 420.09832 224.8
[M+Na-2H]- 382.05914 190.9
[M]+ 361.08392 190.1
[M]- 361.08502 190.1
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.