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

34
Patents

216.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.079386 144.7
[M+Na]+ 239.061328 153.1
[M-H]- 215.064834 148.3
[M+NH4]+ 234.105933 163.4
[M+K]+ 255.035268 147.8
[M+H-H2O]+ 199.069370 137.6
[M+HCOO]- 261.070311 158.8
[M+CH3COO]- 275.085961 156.6
[M+Na-2H]- 237.046776 148.1
[M]+ 216.07156142 142.1
[M]- 216.07265858 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