CID 484528

5-chloro-2,3-dihydro-3,6-diphenyl-2-thioxothiazolo[4,5-d]-pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C17H10ClN3OS2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)Cl)C4=CC=CC=C4)SC2=S
InChI
InChI=1S/C17H10ClN3OS2/c18-16-19-14-13(15(22)21(16)12-9-5-2-6-10-12)24-17(23)20(14)11-7-3-1-4-8-11/h1-10H
InChIKey
BZJBBPTZPXMHDS-UHFFFAOYSA-N
Compound name
5-chloro-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.9954 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.00268 180.4
[M+Na]+ 393.98462 196.3
[M-H]- 369.98812 189.1
[M+NH4]+ 389.02922 194.1
[M+K]+ 409.95856 186.5
[M+H-H2O]+ 353.99266 173.3
[M+HCOO]- 415.99360 189.3
[M+CH3COO]- 430.00925 192.4
[M+Na-2H]- 391.97007 181.6
[M]+ 370.99485 187.8
[M]- 370.99595 187.8
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.