CID 426582

Nsc194293

Structural Information

Molecular Formula
C9H8N3S
SMILES
C1=CC=C2C(=C1)NC3=CSC(=[N+]23)N
InChI
InChI=1S/C9H7N3S/c10-9-12-7-4-2-1-3-6(7)11-8(12)5-13-9/h1-5,10-11H/p+1
InChIKey
GWQYCIJTDSZFSI-UHFFFAOYSA-O
Compound name
4H-[1,3]thiazolo[3,4-a]benzimidazol-9-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0439 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05118 133.0
[M+Na]+ 213.03312 146.5
[M-H]- 189.03662 136.7
[M+NH4]+ 208.07772 155.8
[M+K]+ 229.00706 136.1
[M+H-H2O]+ 173.04116 130.7
[M+HCOO]- 235.04210 153.1
[M+CH3COO]- 249.05775 147.7
[M+Na-2H]- 211.01857 141.4
[M]+ 190.04335 135.0
[M]- 190.04445 135.0
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.