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 179.2
[M+Na]+ 371.09372 191.0
[M-H]- 347.09722 190.2
[M+NH4]+ 366.13832 192.4
[M+K]+ 387.06766 184.0
[M+H-H2O]+ 331.10176 170.0
[M+HCOO]- 393.10270 199.8
[M+CH3COO]- 407.11835 191.3
[M+Na-2H]- 369.07917 178.7
[M]+ 348.10395 183.6
[M]- 348.10505 183.6
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.