CID 49876000

1146930-09-7

Structural Information

Molecular Formula
C8H7ClN2O3S2
SMILES
CC1=CN2C(=O)C(=C(N=C2S1)C)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O3S2/c1-4-3-11-7(12)6(16(9,13)14)5(2)10-8(11)15-4/h3H,1-2H3
InChIKey
NDCIOGHJKYCABR-UHFFFAOYSA-N
Compound name
2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.95865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96593 154.6
[M+Na]+ 300.94787 169.9
[M-H]- 276.95137 158.7
[M+NH4]+ 295.99247 173.6
[M+K]+ 316.92181 164.1
[M+H-H2O]+ 260.95591 150.8
[M+HCOO]- 322.95685 163.3
[M+CH3COO]- 336.97250 191.9
[M+Na-2H]- 298.93332 157.2
[M]+ 277.95810 164.2
[M]- 277.95920 164.2
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.