CID 388615

2-(3,5-dimethyl-1h-pyrazol-1-yl)-4-phenyl-1,3-thiazole

Structural Information

Molecular Formula
C14H13N3S
SMILES
CC1=CC(=NN1C2=NC(=CS2)C3=CC=CC=C3)C
InChI
InChI=1S/C14H13N3S/c1-10-8-11(2)17(16-10)14-15-13(9-18-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
ZYLGDSAPSSMRRT-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

255.08302 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09030 156.1
[M+Na]+ 278.07224 172.0
[M+NH4]+ 273.11684 165.3
[M+K]+ 294.04618 165.5
[M-H]- 254.07574 161.4
[M+Na-2H]- 276.05769 166.1
[M]+ 255.08247 160.5
[M]- 255.08357 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.