CID 3000086

[2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid

Structural Information

Molecular Formula
C12H9N3O2S
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)O)C3=CSC=N3
InChI
InChI=1S/C12H9N3O2S/c16-11(17)5-15-10-4-2-1-3-8(10)14-12(15)9-6-18-7-13-9/h1-4,6-7H,5H2,(H,16,17)
InChIKey
QJFKGTPZZBLCJY-UHFFFAOYSA-N
Compound name
2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

259.04153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04881 154.9
[M+Na]+ 282.03075 167.9
[M+NH4]+ 277.07535 162.6
[M+K]+ 298.00469 163.8
[M-H]- 258.03425 156.6
[M+Na-2H]- 280.01620 161.1
[M]+ 259.04098 157.6
[M]- 259.04208 157.6
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.