CID 3057627

74101-20-5

Structural Information

Molecular Formula
C18H12Cl2N4S
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H12Cl2N4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKey
SCGGUFVVJWQGPP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.01596 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02324 187.6
[M+Na]+ 409.00518 201.4
[M-H]- 385.00868 197.7
[M+NH4]+ 404.04978 200.8
[M+K]+ 424.97912 192.3
[M+H-H2O]+ 369.01322 178.7
[M+HCOO]- 431.01416 198.1
[M+CH3COO]- 445.02981 198.9
[M+Na-2H]- 406.99063 185.1
[M]+ 386.01541 193.7
[M]- 386.01651 193.7
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.