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

literature stripe

Patent stripe

patents stripe