CID 426580

Nsc194291

Structural Information

Molecular Formula
C10H10N3S
SMILES
CN1C2=CC=CC=C2[N+]3=C(SC=C13)N
InChI
InChI=1S/C10H9N3S/c1-12-7-4-2-3-5-8(7)13-9(12)6-14-10(13)11/h2-6,11H,1H3/p+1
InChIKey
WJKWHBYURUXGCL-UHFFFAOYSA-O
Compound name
4-methyl-[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

204.05954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06682 138.6
[M+Na]+ 227.04876 152.9
[M-H]- 203.05226 143.9
[M+NH4]+ 222.09336 161.8
[M+K]+ 243.02270 143.1
[M+H-H2O]+ 187.05680 136.0
[M+HCOO]- 249.05774 159.8
[M+CH3COO]- 263.07339 179.3
[M+Na-2H]- 225.03421 146.0
[M]+ 204.05899 143.0
[M]- 204.06009 143.0
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.