CID 9589503

115703-19-0

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]+ 382.081576 183.0
[M+Na]+ 404.063518 188.8
[M-H]- 380.067024 189.3
[M+NH4]+ 399.108123 193.0
[M+K]+ 420.037458 181.8
[M+H-H2O]+ 364.071560 178.4
[M+HCOO]- 426.072501 203.5
[M+CH3COO]- 440.088151 212.6
[M+Na-2H]- 402.048966 189.2
[M]+ 381.07375142 186.4
[M]- 381.07484858 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.