CID 24835007

5h-benzofuro(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-ethyl-

Structural Information

Molecular Formula
C13H9N3O2S
SMILES
CCC1=NN2C(=O)C3=C(C4=CC=CC=C4O3)N=C2S1
InChI
InChI=1S/C13H9N3O2S/c1-2-9-15-16-12(17)11-10(14-13(16)19-9)7-5-3-4-6-8(7)18-11/h3-6H,2H2,1H3
InChIKey
SNUGIEWLSZGVJY-UHFFFAOYSA-N
Compound name
13-ethyl-8-oxa-14-thia-11,12,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04153 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04881 157.0
[M+Na]+ 294.03075 173.9
[M+NH4]+ 289.07535 166.3
[M+K]+ 310.00469 168.1
[M-H]- 270.03425 160.6
[M+Na-2H]- 292.01620 162.2
[M]+ 271.04098 161.1
[M]- 271.04208 161.1
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.