CID 3073768

1,6-dimethylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1h)-one

Structural Information

Molecular Formula
C9H8N4OS
SMILES
CC1=CSC2=NC3=C(C=NN3C)C(=O)N12
InChI
InChI=1S/C9H8N4OS/c1-5-4-15-9-11-7-6(3-10-12(7)2)8(14)13(5)9/h3-4H,1-2H3
InChIKey
KDJJGKBRJJVJKD-UHFFFAOYSA-N
Compound name
6,12-dimethyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04189 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04917 144.5
[M+Na]+ 243.03111 161.6
[M-H]- 219.03461 147.9
[M+NH4]+ 238.07571 165.4
[M+K]+ 259.00505 157.3
[M+H-H2O]+ 203.03915 138.7
[M+HCOO]- 265.04009 163.7
[M+CH3COO]- 279.05574 159.7
[M+Na-2H]- 241.01656 148.5
[M]+ 220.04134 153.7
[M]- 220.04244 153.7
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.