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]+ 221.049166 144.5
[M+Na]+ 243.031108 161.6
[M-H]- 219.034614 147.9
[M+NH4]+ 238.075713 165.4
[M+K]+ 259.005048 157.3
[M+H-H2O]+ 203.039150 138.7
[M+HCOO]- 265.040091 163.7
[M+CH3COO]- 279.055741 159.7
[M+Na-2H]- 241.016556 148.5
[M]+ 220.04134142 153.7
[M]- 220.04243858 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.