CID 3003120

Eu-0053807

Structural Information

Molecular Formula
C17H11N3OS3
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4)SC2=S
InChI
InChI=1S/C17H11N3OS3/c21-15-13-14(18-16(22)20(15)12-9-5-2-6-10-12)19(17(23)24-13)11-7-3-1-4-8-11/h1-10H,(H,18,22)
InChIKey
LJPYMEUGNUFYFF-UHFFFAOYSA-N
Compound name
3,6-diphenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.00644 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01372 178.7
[M+Na]+ 391.99566 194.2
[M-H]- 367.99916 185.2
[M+NH4]+ 387.04026 191.1
[M+K]+ 407.96960 182.3
[M+H-H2O]+ 352.00370 173.0
[M+HCOO]- 414.00464 185.7
[M+CH3COO]- 428.02029 189.4
[M+Na-2H]- 389.98111 179.7
[M]+ 369.00589 181.5
[M]- 369.00699 181.5
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.