CID 165990903

2-phenyl-[1,2,4]triazolo[3,2-b][1,3]thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H7N3OS
SMILES
C1=CC=C(C=C1)C2=NN3C=C(SC3=N2)C=O
InChI
InChI=1S/C11H7N3OS/c15-7-9-6-14-11(16-9)12-10(13-14)8-4-2-1-3-5-8/h1-7H
InChIKey
YZLQRWJZILOVDY-UHFFFAOYSA-N
Compound name
2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.03099 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03827 147.3
[M+Na]+ 252.02021 161.9
[M+NH4]+ 247.06481 156.1
[M+K]+ 267.99415 156.2
[M-H]- 228.02371 150.1
[M+Na-2H]- 250.00566 155.0
[M]+ 229.03044 150.7
[M]- 229.03154 150.7
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.