CID 2320559

2-(1h-benzoimidazol-2-ylmethyl)-benzothiazole

Structural Information

Molecular Formula
C15H11N3S
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H11N3S/c1-2-6-11-10(5-1)16-14(17-11)9-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)
InChIKey
JLURXEZDKXSDTJ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

79
Patents

265.06738 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07466 156.2
[M+Na]+ 288.05660 170.1
[M-H]- 264.06010 161.8
[M+NH4]+ 283.10120 175.2
[M+K]+ 304.03054 163.2
[M+H-H2O]+ 248.06464 149.5
[M+HCOO]- 310.06558 174.7
[M+CH3COO]- 324.08123 169.7
[M+Na-2H]- 286.04205 161.0
[M]+ 265.06683 161.4
[M]- 265.06793 161.4
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