CID 418129

Nsc98826

Structural Information

Molecular Formula
C9H7N2S
SMILES
C1=CC=C2C(=C1)NC3=[N+]2C=CS3
InChI
InChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h1-6H/p+1
InChIKey
IHCQWURUZRYCIU-UHFFFAOYSA-O
Compound name
4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.03299 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04027 131.0
[M+Na]+ 198.02221 144.7
[M-H]- 174.02571 135.0
[M+NH4]+ 193.06681 154.8
[M+K]+ 213.99615 134.9
[M+H-H2O]+ 158.03025 128.8
[M+HCOO]- 220.03119 150.9
[M+CH3COO]- 234.04684 146.2
[M+Na-2H]- 196.00766 139.9
[M]+ 175.03244 134.2
[M]- 175.03354 134.2
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.