CID 44144661

74082-19-2

Structural Information

Molecular Formula
C19H12Cl2N4O7S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N=NC3C=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl
InChI
InChI=1S/C19H12Cl2N4O7S2/c20-12-8-17(33(27,28)29)13(21)7-16(12)25-19(26)15(9-22-25)24-23-14-6-5-10-3-1-2-4-11(10)18(14)34(30,31)32/h1-9,15H,(H,27,28,29)(H,30,31,32)
InChIKey
SKKPEHSXOZHNEX-UHFFFAOYSA-N
Compound name
2-[[1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.95245 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.95973 219.5
[M+Na]+ 564.94167 231.3
[M+NH4]+ 559.98627 223.2
[M+K]+ 580.91561 224.6
[M-H]- 540.94517 221.7
[M+Na-2H]- 562.92712 224.9
[M]+ 541.95190 223.0
[M]- 541.95300 223.0
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.