CID 1498381

Brn 1016890

Structural Information

Molecular Formula
C18H14N4S
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4S/c19-17-11-15(13-7-3-1-4-8-13)21-22(17)18-20-16(12-23-18)14-9-5-2-6-10-14/h1-12H,19H2
InChIKey
NJWHHZBUUTZLJM-UHFFFAOYSA-N
Compound name
5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0939 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10118 170.9
[M+Na]+ 341.08312 182.6
[M-H]- 317.08662 181.6
[M+NH4]+ 336.12772 185.1
[M+K]+ 357.05706 175.3
[M+H-H2O]+ 301.09116 161.8
[M+HCOO]- 363.09210 191.7
[M+CH3COO]- 377.10775 183.3
[M+Na-2H]- 339.06857 171.5
[M]+ 318.09335 173.2
[M]- 318.09445 173.2
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.