CID 373878

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

Structural Information

Molecular Formula
C14H9N3S
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H9N3S/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)
InChIKey
IIBOKVBFKUNLNA-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

116
Patents

251.05171 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05899 151.8
[M+Na]+ 274.04093 166.2
[M-H]- 250.04443 157.6
[M+NH4]+ 269.08553 171.4
[M+K]+ 290.01487 159.5
[M+H-H2O]+ 234.04897 145.3
[M+HCOO]- 296.04991 170.6
[M+CH3COO]- 310.06556 165.7
[M+Na-2H]- 272.02638 157.1
[M]+ 251.05116 156.7
[M]- 251.05226 156.7
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