CID 3014496

Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonato(3-))-, trisodium

Structural Information

Molecular Formula
C16H14N4O5S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O5S/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21/h2-9,15,21H,1H3,(H,23,24,25)
InChIKey
YSDKKYUWKXPOPQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07576 184.3
[M+Na]+ 397.05770 193.6
[M-H]- 373.06120 193.0
[M+NH4]+ 392.10230 195.3
[M+K]+ 413.03164 189.0
[M+H-H2O]+ 357.06574 175.5
[M+HCOO]- 419.06668 203.1
[M+CH3COO]- 433.08233 216.9
[M+Na-2H]- 395.04315 187.0
[M]+ 374.06793 188.3
[M]- 374.06903 188.3
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