CID 380674

2-(1h-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazole

Structural Information

Molecular Formula
C15H11N3S2
SMILES
C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H11N3S2/c1-2-6-11-10(5-1)16-14(17-11)9-19-15-18-12-7-3-4-8-13(12)20-15/h1-8H,9H2,(H,16,17)
InChIKey
JGXBBZPMRIVBBZ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

297.03943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04671 160.8
[M+Na]+ 320.02865 175.7
[M-H]- 296.03215 166.3
[M+NH4]+ 315.07325 179.2
[M+K]+ 336.00259 168.2
[M+H-H2O]+ 280.03669 155.6
[M+HCOO]- 342.03763 174.4
[M+CH3COO]- 356.05328 173.8
[M+Na-2H]- 318.01410 164.0
[M]+ 297.03888 167.4
[M]- 297.03998 167.4
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.