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 155.5
[M+Na]+ 287.99688 171.2
[M-H]- 264.00038 161.8
[M+NH4]+ 283.04148 175.3
[M+K]+ 303.97082 165.4
[M+H-H2O]+ 248.00492 149.3
[M+HCOO]- 310.00586 170.7
[M+CH3COO]- 324.02151 169.9
[M+Na-2H]- 285.98233 156.6
[M]+ 265.00711 163.7
[M]- 265.00821 163.7
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.