CID 9589503

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

Structural Information

Molecular Formula
C14H15N5O6S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C14H15N5O6S/c1-3-25-14(20)12-9-18(2)16-13(12)26(23,24)17-15-8-10-4-6-11(7-5-10)19(21)22/h4-9,17H,3H2,1-2H3/b15-8+
InChIKey
UAZMIWGTITVUJG-OVCLIPMQSA-N
Compound name
ethyl 1-methyl-3-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08158 183.0
[M+Na]+ 404.06352 188.8
[M-H]- 380.06702 189.3
[M+NH4]+ 399.10812 193.0
[M+K]+ 420.03746 181.8
[M+H-H2O]+ 364.07156 178.4
[M+HCOO]- 426.07250 203.5
[M+CH3COO]- 440.08815 212.6
[M+Na-2H]- 402.04897 189.2
[M]+ 381.07375 186.4
[M]- 381.07485 186.4
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.