CID 24835008

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

Structural Information

Molecular Formula
C12H7N3O2S
SMILES
CC1=NN2C(=O)C3=C(C4=CC=CC=C4O3)N=C2S1
InChI
InChI=1S/C12H7N3O2S/c1-6-14-15-11(16)10-9(13-12(15)18-6)7-4-2-3-5-8(7)17-10/h2-5H,1H3
InChIKey
OVQZGXPOGOEQIR-UHFFFAOYSA-N
Compound name
13-methyl-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

257.0259 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03318 152.5
[M+Na]+ 280.01512 169.6
[M+NH4]+ 275.05972 162.0
[M+K]+ 295.98906 164.0
[M-H]- 256.01862 156.1
[M+Na-2H]- 278.00057 158.0
[M]+ 257.02535 156.7
[M]- 257.02645 156.7
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.