CID 109239

68227-56-5

Structural Information

Molecular Formula
C17H16ClN5O4S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN5O4S/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2/h3-9,16,19,24H,1-2H3
InChIKey
DFIRHORHPXOSRI-UHFFFAOYSA-N
Compound name
3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

421.06116 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.06844 196.1
[M+Na]+ 444.05038 207.7
[M+NH4]+ 439.09498 201.0
[M+K]+ 460.02432 202.1
[M-H]- 420.05388 200.3
[M+Na-2H]- 442.03583 203.0
[M]+ 421.06061 199.4
[M]- 421.06171 199.4
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

patents stripe