CID 172338

Chromate(1-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappao)-1-phenyl-1h-pyrazol-4-yl)diazenyl-kappan1)-4-(hydroxy-kappao)-n-methylbenzenesulfonamidato(2-))-, sodium (1:1)

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)O
InChI
InChI=1S/C17H17N5O4S/c1-11-16(17(24)22(21-11)12-6-4-3-5-7-12)20-19-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,21,23H,1-2H3
InChIKey
FYVLZEQQCMSFNB-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
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 188.6
[M+Na]+ 410.089348 197.8
[M-H]- 386.092854 197.5
[M+NH4]+ 405.133953 198.9
[M+K]+ 426.063288 192.0
[M+H-H2O]+ 370.097390 179.4
[M+HCOO]- 432.098331 209.2
[M+CH3COO]- 446.113981 222.6
[M+Na-2H]- 408.074796 192.3
[M]+ 387.09958142 192.2
[M]- 387.10067858 192.2
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.