CID 4868354

7-(chloromethyl)-2-methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula
C7H6ClN3OS
SMILES
CC1=NN2C(=O)C=C(N=C2S1)CCl
InChI
InChI=1S/C7H6ClN3OS/c1-4-10-11-6(12)2-5(3-8)9-7(11)13-4/h2H,3H2,1H3
InChIKey
VWZAWQBMXFFSRM-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.992 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.99928 138.8
[M+Na]+ 237.98122 153.7
[M-H]- 213.98472 141.1
[M+NH4]+ 233.02582 158.8
[M+K]+ 253.95516 148.8
[M+H-H2O]+ 197.98926 132.9
[M+HCOO]- 259.99020 152.8
[M+CH3COO]- 274.00585 153.3
[M+Na-2H]- 235.96667 143.3
[M]+ 214.99145 146.4
[M]- 214.99255 146.4
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.