CID 1498376

Brn 1152676

Structural Information

Molecular Formula
C19H16N4S
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4S/c1-13-7-9-15(10-8-13)16-11-18(20)23(22-16)19-21-17(12-24-19)14-5-3-2-4-6-14/h2-12H,20H2,1H3
InChIKey
XSEHUOMUPIFUES-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-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

332.10956 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11684 176.1
[M+Na]+ 355.09878 188.2
[M-H]- 331.10228 187.0
[M+NH4]+ 350.14338 190.0
[M+K]+ 371.07272 180.6
[M+H-H2O]+ 315.10682 167.0
[M+HCOO]- 377.10776 196.5
[M+CH3COO]- 391.12341 188.3
[M+Na-2H]- 353.08423 175.4
[M]+ 332.10901 179.2
[M]- 332.11011 179.2
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.