CID 372589

Nsc647950

Structural Information

Molecular Formula
C20H20N6O6S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C20H20N6O6S/c1-12-19(24-23-13-7-9-14(10-8-13)33(21,30)31)20(29)26(25-12)18(28)11-17(27)22-15-5-3-4-6-16(15)32-2/h3-10,19H,11H2,1-2H3,(H,22,27)(H2,21,30,31)
InChIKey
KYDNKKWZCGWICK-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.11652 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12380 208.2
[M+Na]+ 495.10574 213.8
[M-H]- 471.10924 218.3
[M+NH4]+ 490.15034 215.0
[M+K]+ 511.07968 211.0
[M+H-H2O]+ 455.11378 197.8
[M+HCOO]- 517.11472 228.3
[M+CH3COO]- 531.13037 244.7
[M+Na-2H]- 493.09119 209.6
[M]+ 472.11597 213.2
[M]- 472.11707 213.2
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.