CID 3006714

2-(2,3-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C14H10N2S2
SMILES
C1=CC=C2C(=C1)NC(S2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13,15H
InChIKey
MFCUWEISQRNODG-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.02853 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03581 154.3
[M+Na]+ 293.01775 167.6
[M-H]- 269.02125 160.5
[M+NH4]+ 288.06235 175.0
[M+K]+ 308.99169 161.0
[M+H-H2O]+ 253.02579 149.9
[M+HCOO]- 315.02673 166.8
[M+CH3COO]- 329.04238 167.5
[M+Na-2H]- 291.00320 156.5
[M]+ 270.02798 157.6
[M]- 270.02908 157.6
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.