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
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)pyrazol-3-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]+ 367.07788 185.0
[M+Na]+ 389.05982 198.4
[M-H]- 365.06332 196.0
[M+NH4]+ 384.10442 198.6
[M+K]+ 405.03376 189.6
[M+H-H2O]+ 349.06786 176.0
[M+HCOO]- 411.06880 200.5
[M+CH3COO]- 425.08445 196.9
[M+Na-2H]- 387.04527 182.9
[M]+ 366.07005 190.5
[M]- 366.07115 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.