CID 392247

Nsc692383

Structural Information

Molecular Formula
C10H8N4OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=C(S3)C(=O)N)N
InChI
InChI=1S/C10H8N4OS/c11-8-7(9(12)15)16-10-13-5-3-1-2-4-6(5)14(8)10/h1-4H,11H2,(H2,12,15)
InChIKey
XWAXRDBWWUICLP-UHFFFAOYSA-N
Compound name
1-amino-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.04189 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04917 145.7
[M+Na]+ 255.03111 159.1
[M-H]- 231.03461 150.2
[M+NH4]+ 250.07571 167.1
[M+K]+ 271.00505 154.6
[M+H-H2O]+ 215.03915 140.2
[M+HCOO]- 277.04009 166.9
[M+CH3COO]- 291.05574 160.0
[M+Na-2H]- 253.01656 149.7
[M]+ 232.04134 150.1
[M]- 232.04244 150.1
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

No patent data available for this compound.