CID 372590

Nsc647951

Structural Information

Molecular Formula
C19H18N6O5S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N6O5S/c1-12-18(23-22-14-7-9-15(10-8-14)31(20,29)30)19(28)25(24-12)17(27)11-16(26)21-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,21,26)(H2,20,29,30)
InChIKey
YWQFEYCRQIYCMA-UHFFFAOYSA-N
Compound name
3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11321 201.3
[M+Na]+ 465.09515 207.1
[M-H]- 441.09865 211.4
[M+NH4]+ 460.13975 209.3
[M+K]+ 481.06909 203.6
[M+H-H2O]+ 425.10319 191.1
[M+HCOO]- 487.10413 221.7
[M+CH3COO]- 501.11978 238.1
[M+Na-2H]- 463.08060 203.3
[M]+ 442.10538 204.4
[M]- 442.10648 204.4
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.