CID 383353

Nsc671467

Structural Information

Molecular Formula
C14H13N3OS3
SMILES
CCN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC
InChI
InChI=1S/C14H13N3OS3/c1-3-16-11(18)10-12(21-13(15-10)20-2)17(14(16)19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey
HZFYBHISWNNBOE-UHFFFAOYSA-N
Compound name
6-ethyl-2-methylsulfanyl-4-phenyl-5-sulfanylidene-[1,3]thiazolo[5,4-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.02206 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02934 169.2
[M+Na]+ 358.01128 184.3
[M-H]- 334.01478 173.9
[M+NH4]+ 353.05588 183.9
[M+K]+ 373.98522 174.9
[M+H-H2O]+ 318.01932 163.5
[M+HCOO]- 380.02026 176.5
[M+CH3COO]- 394.03591 180.7
[M+Na-2H]- 355.99673 169.1
[M]+ 335.02151 175.6
[M]- 335.02261 175.6
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.