CID 3006136

3-phenyl-6h-thiazolo[4,5-d]pyrimidine-2,7-dithione

Structural Information

Molecular Formula
C11H7N3S3
SMILES
C1=CC=C(C=C1)N2C3=C(C(=S)N=CN3)SC2=S
InChI
InChI=1S/C11H7N3S3/c15-10-8-9(12-6-13-10)14(11(16)17-8)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
InChIKey
JCGCHZIBOAARMG-UHFFFAOYSA-N
Compound name
3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.98022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98750 152.4
[M+Na]+ 299.96944 167.6
[M-H]- 275.97294 155.8
[M+NH4]+ 295.01404 168.5
[M+K]+ 315.94338 157.5
[M+H-H2O]+ 259.97748 147.6
[M+HCOO]- 321.97842 159.3
[M+CH3COO]- 335.99407 164.4
[M+Na-2H]- 297.95489 154.4
[M]+ 276.97967 154.3
[M]- 276.98077 154.3
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.