CID 136033471

(4z)-2-(3,5-dichlorobenzothiophene-2-carbonyl)-4-[(2,4-dichlorophenyl)hydrazono]-5-methyl-pyrazol-3-one

Structural Information

Molecular Formula
C19H10Cl4N4O2S
SMILES
CC1=C(C(=O)N(N1)C(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)N=NC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H10Cl4N4O2S/c1-8-16(25-24-13-4-2-10(21)7-12(13)22)18(28)27(26-8)19(29)17-15(23)11-6-9(20)3-5-14(11)30-17/h2-7,26H,1H3
InChIKey
CRULJHDEEWJRMX-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-1-benzothiophene-2-carbonyl)-4-[(2,4-dichlorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.92786 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.93514 215.3
[M+Na]+ 520.91708 228.8
[M-H]- 496.92058 223.6
[M+NH4]+ 515.96168 227.1
[M+K]+ 536.89102 221.6
[M+H-H2O]+ 480.92512 208.8
[M+HCOO]- 542.92606 216.7
[M+CH3COO]- 556.94171 224.0
[M+Na-2H]- 518.90253 210.1
[M]+ 497.92731 224.9
[M]- 497.92841 224.9
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.