CID 3073769

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1h)-one, 1-methyl-6-phenyl-

Structural Information

Molecular Formula
C14H10N4OS
SMILES
CN1C2=C(C=N1)C(=O)N3C(=CSC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C14H10N4OS/c1-17-12-10(7-15-17)13(19)18-11(8-20-14(18)16-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
AKVOIQHFRCVCAF-UHFFFAOYSA-N
Compound name
6-methyl-12-phenyl-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

282.05753 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06481 160.6
[M+Na]+ 305.04675 178.1
[M+NH4]+ 300.09135 169.5
[M+K]+ 321.02069 171.6
[M-H]- 281.05025 164.1
[M+Na-2H]- 303.03220 168.8
[M]+ 282.05698 164.8
[M]- 282.05808 164.8
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.