CID 2534975

851175-82-1

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
C1CCC2=C(C1)N3C(=O)C=C(N=C3S2)CCl
InChI
InChI=1S/C11H11ClN2OS/c12-6-7-5-10(15)14-8-3-1-2-4-9(8)16-11(14)13-7/h5H,1-4,6H2
InChIKey
LPIZOCZYLLJORX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 150.9
[M+Na]+ 277.01728 166.1
[M+NH4]+ 272.06188 161.2
[M+K]+ 292.99122 157.4
[M-H]- 253.02078 153.5
[M+Na-2H]- 275.00273 156.4
[M]+ 254.02751 154.7
[M]- 254.02861 154.7
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.