CID 3075155

172701-58-5

Structural Information

Molecular Formula
C20H19ClN8OS
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=C(C(=NN2C3=CC(=CC=C3)Cl)C4=NN=C(S4)N)OC
InChI
InChI=1S/C20H19ClN8OS/c1-28(2)14-9-7-13(8-10-14)23-24-18-17(30-3)16(19-25-26-20(22)31-19)27-29(18)15-6-4-5-12(21)11-15/h4-11H,1-3H3,(H2,22,26)
InChIKey
CTNSFBOEMGSTKW-UHFFFAOYSA-N
Compound name
5-[1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazol-3-yl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1091 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.11638 206.6
[M+Na]+ 477.09832 218.1
[M-H]- 453.10182 220.5
[M+NH4]+ 472.14292 216.2
[M+K]+ 493.07226 211.9
[M+H-H2O]+ 437.10636 195.2
[M+HCOO]- 499.10730 226.9
[M+CH3COO]- 513.12295 217.4
[M+Na-2H]- 475.08377 206.7
[M]+ 454.10855 216.5
[M]- 454.10965 216.5
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.