CID 9794218

Mtep

Structural Information

Molecular Formula
C11H8N2S
SMILES
CC1=NC(=CS1)C#CC2=CN=CC=C2
InChI
InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
InChIKey
NRBNGHCYDWUVLC-UHFFFAOYSA-N
Compound name
2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

194
References

803
Patents

200.04082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 146.0
[M+Na]+ 223.03004 158.5
[M-H]- 199.03354 148.7
[M+NH4]+ 218.07464 163.0
[M+K]+ 239.00398 152.8
[M+H-H2O]+ 183.03808 132.3
[M+HCOO]- 245.03902 159.0
[M+CH3COO]- 259.05467 157.5
[M+Na-2H]- 221.01549 147.6
[M]+ 200.04027 142.1
[M]- 200.04137 142.1
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

patents stripe