CID 65398

1h,3h-thiazolo(3,4-a)benzimidazole

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1C2=NC3=CC=CC=C3N2CS1
InChI
InChI=1S/C9H8N2S/c1-2-4-8-7(3-1)10-9-5-12-6-11(8)9/h1-4H,5-6H2
InChIKey
CEZGFQCGXLQKCP-UHFFFAOYSA-N
Compound name
1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

176.04082 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 133.2
[M+Na]+ 199.03004 145.6
[M-H]- 175.03354 137.4
[M+NH4]+ 194.07464 157.8
[M+K]+ 215.00398 142.4
[M+H-H2O]+ 159.03808 127.9
[M+HCOO]- 221.03902 152.0
[M+CH3COO]- 235.05467 148.2
[M+Na-2H]- 197.01549 138.0
[M]+ 176.04027 136.8
[M]- 176.04137 136.9
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