CID 484529

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

Structural Information

Molecular Formula
C17H10N6OS2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)N=[N+]=[N-])C4=CC=CC=C4)SC2=S
InChI
InChI=1S/C17H10N6OS2/c18-21-20-16-19-14-13(15(24)23(16)12-9-5-2-6-10-12)26-17(25)22(14)11-7-3-1-4-8-11/h1-10H
InChIKey
LELABEZFPDLMPT-UHFFFAOYSA-N
Compound name
5-azido-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

378.03574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04302 183.1
[M+Na]+ 401.02496 195.3
[M-H]- 377.02846 193.6
[M+NH4]+ 396.06956 194.7
[M+K]+ 416.99890 181.3
[M+H-H2O]+ 361.03300 177.6
[M+HCOO]- 423.03394 202.1
[M+CH3COO]- 437.04959 216.3
[M+Na-2H]- 399.01041 190.5
[M]+ 378.03519 184.6
[M]- 378.03629 184.6
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.