CID 3006709

2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,3-benzothiazole

Structural Information

Molecular Formula
C20H16N2S2
SMILES
C1=CC=C2C(=C1)NC(S2)C3=CC=C(C=C3)C4NC5=CC=CC=C5S4
InChI
InChI=1S/C20H16N2S2/c1-3-7-17-15(5-1)21-19(23-17)13-9-11-14(12-10-13)20-22-16-6-2-4-8-18(16)24-20/h1-12,19-22H
InChIKey
UNTZRSQVLDHWTL-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0755 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08278 174.1
[M+Na]+ 371.06472 184.5
[M-H]- 347.06822 181.0
[M+NH4]+ 366.10932 190.5
[M+K]+ 387.03866 175.8
[M+H-H2O]+ 331.07276 169.1
[M+HCOO]- 393.07370 182.1
[M+CH3COO]- 407.08935 184.4
[M+Na-2H]- 369.05017 173.4
[M]+ 348.07495 173.1
[M]- 348.07605 173.1
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

No patent data available for this compound.