CID 383359

Nsc671473

Structural Information

Molecular Formula
C15H15N3O2S2
SMILES
CCN1C(=O)C2=C(N(C1=O)C3=CC=C(C=C3)C)SC(=N2)SC
InChI
InChI=1S/C15H15N3O2S2/c1-4-17-12(19)11-13(22-14(16-11)21-3)18(15(17)20)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3
InChIKey
RDYYVTMSUQIPFK-UHFFFAOYSA-N
Compound name
6-ethyl-4-(4-methylphenyl)-2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.06058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06786 172.7
[M+Na]+ 356.04980 187.7
[M-H]- 332.05330 178.4
[M+NH4]+ 351.09440 187.6
[M+K]+ 372.02374 180.2
[M+H-H2O]+ 316.05784 166.0
[M+HCOO]- 378.05878 185.3
[M+CH3COO]- 392.07443 185.1
[M+Na-2H]- 354.03525 172.4
[M]+ 333.06003 181.7
[M]- 333.06113 181.7
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.