CID 365514

Nsc633194

Structural Information

Molecular Formula
C11H9N3OS
SMILES
C1C(=O)N=C(S1)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H,12,13)
InChIKey
IJSXLHIMKVVISB-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04663 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05391 148.2
[M+Na]+ 254.03585 160.3
[M-H]- 230.03935 152.3
[M+NH4]+ 249.08045 167.3
[M+K]+ 270.00979 155.3
[M+H-H2O]+ 214.04389 141.6
[M+HCOO]- 276.04483 165.5
[M+CH3COO]- 290.06048 161.4
[M+Na-2H]- 252.02130 150.1
[M]+ 231.04608 150.8
[M]- 231.04718 150.8
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.