CID 24252973

1004527-73-4

Structural Information

Molecular Formula
C12H11ClN2S
SMILES
C1CNCC2=C1N=C(S2)C3=CC=CC=C3Cl
InChI
InChI=1S/C12H11ClN2S/c13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2
InChIKey
PQNFPLYNISMMRP-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.03314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04042 151.8
[M+Na]+ 273.02236 161.7
[M-H]- 249.02586 155.6
[M+NH4]+ 268.06696 170.2
[M+K]+ 288.99630 154.9
[M+H-H2O]+ 233.03040 145.4
[M+HCOO]- 295.03134 161.1
[M+CH3COO]- 309.04699 163.6
[M+Na-2H]- 271.00781 153.9
[M]+ 250.03259 151.5
[M]- 250.03369 151.5
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