CID 3004397

189895-61-2

Structural Information

Molecular Formula
C11H7N3OS3
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)NC(=S)N3)SC2=S
InChI
InChI=1S/C11H7N3OS3/c15-9-7-8(12-10(16)13-9)14(11(17)18-7)6-4-2-1-3-5-6/h1-5H,(H2,12,13,15,16)
InChIKey
VNBOMQWABBZKEZ-UHFFFAOYSA-N
Compound name
3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.97513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.98241 156.7
[M+Na]+ 315.96435 171.9
[M-H]- 291.96785 158.9
[M+NH4]+ 311.00895 171.5
[M+K]+ 331.93829 160.7
[M+H-H2O]+ 275.97239 152.3
[M+HCOO]- 337.97333 162.3
[M+CH3COO]- 351.98898 168.0
[M+Na-2H]- 313.94980 158.0
[M]+ 292.97458 157.9
[M]- 292.97568 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.