CID 234934

5-thia-2,7-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),6,8,10-tetraen-3-one

Structural Information

Molecular Formula
C9H6N2OS
SMILES
C1C(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C9H6N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4H,5H2
InChIKey
CFXICROPFOOZFI-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

81
Patents

190.02008 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02736 136.5
[M+Na]+ 213.00930 149.8
[M-H]- 189.01280 141.1
[M+NH4]+ 208.05390 160.5
[M+K]+ 228.98324 146.4
[M+H-H2O]+ 173.01734 131.4
[M+HCOO]- 235.01828 155.6
[M+CH3COO]- 249.03393 151.6
[M+Na-2H]- 210.99475 140.7
[M]+ 190.01953 141.2
[M]- 190.02063 141.2
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