CID 136058648

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

Structural Information

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

0
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 197.7
[M+Na]+ 444.05038 207.6
[M-H]- 420.05388 207.7
[M+NH4]+ 439.09498 208.3
[M+K]+ 460.02432 201.7
[M+H-H2O]+ 404.05842 188.9
[M+HCOO]- 466.05936 213.6
[M+CH3COO]- 480.07501 229.8
[M+Na-2H]- 442.03583 199.5
[M]+ 421.06061 204.2
[M]- 421.06171 204.2
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.