CID 665603

37052-78-1

Structural Information

Molecular Formula
C8H8N2OS
SMILES
COC1=CC2=C(C=C1)NC(=S)N2
InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
InChIKey
KOFBRZWVWJCLGM-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

1166
Patents

180.03574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 135.0
[M+Na]+ 203.02496 148.3
[M+NH4]+ 198.06956 143.5
[M+K]+ 218.99890 141.7
[M-H]- 179.02846 135.7
[M+Na-2H]- 201.01041 140.3
[M]+ 180.03519 137.4
[M]- 180.03629 137.4
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