CID 22337487

2-phenyl-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine

Structural Information

Molecular Formula
C12H12N2S
SMILES
C1CNCC2=C1N=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2S/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2
InChIKey
ZWIKGWINLWHWRV-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

216.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07939 144.7
[M+Na]+ 239.06133 153.1
[M-H]- 215.06483 148.3
[M+NH4]+ 234.10593 163.4
[M+K]+ 255.03527 147.8
[M+H-H2O]+ 199.06937 137.6
[M+HCOO]- 261.07031 158.8
[M+CH3COO]- 275.08596 156.6
[M+Na-2H]- 237.04678 148.1
[M]+ 216.07156 142.1
[M]- 216.07266 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

No literature data available for this compound.

Patent stripe

patents stripe