CID 5279964

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

Structural Information

Molecular Formula
C10H12N2O2S2
SMILES
CC1=CC2=C(C(=S)S1)N=CN2COCCO
InChI
InChI=1S/C10H12N2O2S2/c1-7-4-8-9(10(15)16-7)11-5-12(8)6-14-3-2-13/h4-5,13H,2-3,6H2,1H3
InChIKey
MMZMKQTURMYLIX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-methylthiopyrano[3,4-d]imidazole-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.03403 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04131 150.4
[M+Na]+ 279.02325 162.9
[M-H]- 255.02675 152.1
[M+NH4]+ 274.06785 168.8
[M+K]+ 294.99719 157.2
[M+H-H2O]+ 239.03129 145.1
[M+HCOO]- 301.03223 162.8
[M+CH3COO]- 315.04788 189.5
[M+Na-2H]- 277.00870 152.0
[M]+ 256.03348 157.5
[M]- 256.03458 157.5
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.