CID 5279963

1-(2-hydroxyethoxymethyl)-6-phenyl-thiopyrano[3,4-d]imidazole-4-thione

Structural Information

Molecular Formula
C15H14N2O2S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C(=S)S2)N=CN3COCCO
InChI
InChI=1S/C15H14N2O2S2/c18-6-7-19-10-17-9-16-14-12(17)8-13(21-15(14)20)11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2
InChIKey
DHQIZGUZWPXSKP-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-phenylthiopyrano[3,4-d]imidazole-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04968 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05696 167.3
[M+Na]+ 341.03890 179.4
[M-H]- 317.04240 172.0
[M+NH4]+ 336.08350 182.9
[M+K]+ 357.01284 172.0
[M+H-H2O]+ 301.04694 160.9
[M+HCOO]- 363.04788 179.9
[M+CH3COO]- 377.06353 179.0
[M+Na-2H]- 339.02435 169.2
[M]+ 318.04913 173.8
[M]- 318.05023 173.8
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.