CID 3066560

10h-(1)benzothieno(2,3-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-10-one, 2-phenyl-

Structural Information

Molecular Formula
C17H9N3OS2
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3S2)SC5=CC=CC=C54
InChI
InChI=1S/C17H9N3OS2/c21-16-13-11-8-4-5-9-12(11)22-15(13)18-17-20(16)19-14(23-17)10-6-2-1-3-7-10/h1-9H
InChIKey
UZISPEOQZIVWNI-UHFFFAOYSA-N
Compound name
13-phenyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13-hexaen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0187 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02598 169.3
[M+Na]+ 358.00792 187.7
[M+NH4]+ 353.05252 180.0
[M+K]+ 373.98186 177.8
[M-H]- 334.01142 175.0
[M+Na-2H]- 355.99337 177.9
[M]+ 335.01815 174.9
[M]- 335.01925 174.9
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.