CID 3021492

Brn 5057944

Structural Information

Molecular Formula
C11H8ClN3OS
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NC=CS3
InChI
InChI=1S/C11H8ClN3OS/c1-14-8-3-2-7(12)6-9(8)15(11(14)16)10-13-4-5-17-10/h2-6H,1H3
InChIKey
BGFFRMNLGWZCPW-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(1,3-thiazol-2-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.00766 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01494 155.1
[M+Na]+ 287.99688 171.2
[M+NH4]+ 283.04148 164.2
[M+K]+ 303.97082 164.9
[M-H]- 264.00038 158.1
[M+Na-2H]- 285.98233 162.2
[M]+ 265.00711 159.1
[M]- 265.00821 159.1
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.