CID 163424

Chromate(1-), bis(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)-5-hydroxy-2-methylbenzenesulfonamidato(2-))-, sodium

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)N)O)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N5O4S/c1-10-8-13(14(23)9-15(10)27(18,25)26)19-20-16-11(2)21-22(17(16)24)12-6-4-3-5-7-12/h3-9,21,23H,1-2H3,(H2,18,25,26)
InChIKey
APJGXFJNLSFFMS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.10013 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.107406 189.8
[M+Na]+ 410.089348 199.7
[M-H]- 386.092854 198.5
[M+NH4]+ 405.133953 200.1
[M+K]+ 426.063288 193.7
[M+H-H2O]+ 370.097390 180.8
[M+HCOO]- 432.098331 209.7
[M+CH3COO]- 446.113981 223.6
[M+Na-2H]- 408.074796 191.7
[M]+ 387.09958142 192.8
[M]- 387.10067858 192.8
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.