CID 1498377

Brn 1161114

Structural Information

Molecular Formula
C19H15ClN4S
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKey
AMMPEOCZTJNZSH-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0706 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.077876 185.0
[M+Na]+ 389.059818 198.4
[M-H]- 365.063324 196.0
[M+NH4]+ 384.104423 198.6
[M+K]+ 405.033758 189.6
[M+H-H2O]+ 349.067860 176.0
[M+HCOO]- 411.068801 200.5
[M+CH3COO]- 425.084451 196.9
[M+Na-2H]- 387.045266 182.9
[M]+ 366.07005142 190.5
[M]- 366.07114858 190.5
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.