CID 57375921

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

Structural Information

Molecular Formula
C18H16N4S2
SMILES
C1CN(CCN1C2=NSC3=CC=CC=C32)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C18H16N4S2/c1-3-7-15-13(5-1)17(19-23-15)21-9-11-22(12-10-21)18-14-6-2-4-8-16(14)24-20-18/h1-8H,9-12H2
InChIKey
UGYNLCWENVIDFA-UHFFFAOYSA-N
Compound name
3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08163 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08891 175.2
[M+Na]+ 375.07085 188.5
[M-H]- 351.07435 182.9
[M+NH4]+ 370.11545 190.3
[M+K]+ 391.04479 181.1
[M+H-H2O]+ 335.07889 168.4
[M+HCOO]- 397.07983 185.5
[M+CH3COO]- 411.09548 186.5
[M+Na-2H]- 373.05630 175.8
[M]+ 352.08108 178.8
[M]- 352.08218 178.8
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.