CID 383360

Nsc671474

Structural Information

Molecular Formula
C16H15N3O4S2
SMILES
CCOC(=O)CN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC
InChI
InChI=1S/C16H15N3O4S2/c1-3-23-11(20)9-18-13(21)12-14(25-15(17-12)24-2)19(16(18)22)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
LCOIVDKXPUGWDU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methylsulfanyl-5,7-dioxo-4-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.05038 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05766 183.1
[M+Na]+ 400.03960 196.0
[M-H]- 376.04310 188.3
[M+NH4]+ 395.08420 195.5
[M+K]+ 416.01354 189.5
[M+H-H2O]+ 360.04764 176.0
[M+HCOO]- 422.04858 194.9
[M+CH3COO]- 436.06423 213.3
[M+Na-2H]- 398.02505 182.8
[M]+ 377.04983 193.4
[M]- 377.05093 193.4
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.