CID 790793

55489-15-1

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CCOC1=CC2=C(C=C1)NC(=S)N2
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKey
WUSCBOFBIYZVCQ-UHFFFAOYSA-N
Compound name
5-ethoxy-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

170
Patents

194.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.8
[M+Na]+ 217.040608 149.7
[M-H]- 193.044114 138.3
[M+NH4]+ 212.085213 157.6
[M+K]+ 233.014548 144.0
[M+H-H2O]+ 177.048650 132.3
[M+HCOO]- 239.049591 154.4
[M+CH3COO]- 253.065241 151.1
[M+Na-2H]- 215.026056 142.0
[M]+ 194.05084142 140.1
[M]- 194.05193858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe