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
3-(4-methylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-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]+ 333.116836 176.1
[M+Na]+ 355.098778 188.2
[M-H]- 331.102284 187.0
[M+NH4]+ 350.143383 190.0
[M+K]+ 371.072718 180.6
[M+H-H2O]+ 315.106820 167.0
[M+HCOO]- 377.107761 196.5
[M+CH3COO]- 391.123411 188.3
[M+Na-2H]- 353.084226 175.4
[M]+ 332.10901142 179.2
[M]- 332.11010858 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.