CID 852600

Brn 1161116

Structural Information

Molecular Formula
C19H16N4OS
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4OS/c1-24-15-9-7-14(8-10-15)16-11-18(20)23(22-16)19-21-17(12-25-19)13-5-3-2-4-6-13/h2-12H,20H2,1H3
InChIKey
XONCBPKNOQGECI-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-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

348.1045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 179.3
[M+Na]+ 371.09372 195.4
[M+NH4]+ 366.13832 187.6
[M+K]+ 387.06766 188.8
[M-H]- 347.09722 186.9
[M+Na-2H]- 369.07917 190.9
[M]+ 348.10395 184.4
[M]- 348.10505 184.4
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.