CID 206237

Benzothiazole, 2-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-

Structural Information

Molecular Formula
C17H13N3S
SMILES
CC1=NN(C(=C1)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3S/c1-12-11-15(20(19-12)13-7-3-2-4-8-13)17-18-14-9-5-6-10-16(14)21-17/h2-11H,1H3
InChIKey
JRNVYQSQPKFISZ-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.083 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09028 164.1
[M+Na]+ 314.07222 181.4
[M+NH4]+ 309.11682 174.0
[M+K]+ 330.04616 173.7
[M-H]- 290.07572 170.4
[M+Na-2H]- 312.05767 174.8
[M]+ 291.08245 169.1
[M]- 291.08355 169.1
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.