CID 392241

3-aminothiazolo[3,2-a]benzimidazole-2-carbonitrile

Structural Information

Molecular Formula
C10H6N4S
SMILES
C1=CC=C2C(=C1)N=C3N2C(=C(S3)C#N)N
InChI
InChI=1S/C10H6N4S/c11-5-8-9(12)14-7-4-2-1-3-6(7)13-10(14)15-8/h1-4H,12H2
InChIKey
JIWZWBIREBPIAB-UHFFFAOYSA-N
Compound name
1-amino-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

214.03131 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03859 151.1
[M+Na]+ 237.02053 167.3
[M-H]- 213.02403 154.6
[M+NH4]+ 232.06513 171.4
[M+K]+ 252.99447 160.7
[M+H-H2O]+ 197.02857 138.5
[M+HCOO]- 259.02951 168.4
[M+CH3COO]- 273.04516 163.9
[M+Na-2H]- 235.00598 154.8
[M]+ 214.03076 151.0
[M]- 214.03186 151.0
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.