CID 136033674

Chromate(1-), bis(4-((4-(ethylsulfonyl)-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3h-pyrazol-3-onato(2-))-, sodium

Structural Information

Molecular Formula
C18H18N4O4S
SMILES
CCS(=O)(=O)C1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C)O
InChI
InChI=1S/C18H18N4O4S/c1-3-27(25,26)14-9-10-15(16(23)11-14)19-20-17-12(2)21-22(18(17)24)13-7-5-4-6-8-13/h4-11,17,23H,3H2,1-2H3
InChIKey
ZSEWNPKNHLXJPI-UHFFFAOYSA-N
Compound name
4-[(4-ethylsulfonyl-2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11218 190.4
[M+Na]+ 409.09412 199.6
[M-H]- 385.09762 200.1
[M+NH4]+ 404.13872 201.8
[M+K]+ 425.06806 194.7
[M+H-H2O]+ 369.10216 181.1
[M+HCOO]- 431.10310 209.8
[M+CH3COO]- 445.11875 222.7
[M+Na-2H]- 407.07957 192.1
[M]+ 386.10435 195.5
[M]- 386.10545 195.5
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.