CID 102218758

2-(4,6-dimethyl-2-benzofuranyl)-4,7-dimethoxybenzothiazole

Structural Information

Molecular Formula
C19H17NO3S
SMILES
CC1=CC(=C2C=C(OC2=C1)C3=NC4=C(C=CC(=C4S3)OC)OC)C
InChI
InChI=1S/C19H17NO3S/c1-10-7-11(2)12-9-16(23-15(12)8-10)19-20-17-13(21-3)5-6-14(22-4)18(17)24-19/h5-9H,1-4H3
InChIKey
BDFMALVTTAEFNT-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

339.09293 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10021 178.5
[M+Na]+ 362.08215 193.5
[M-H]- 338.08565 189.5
[M+NH4]+ 357.12675 197.3
[M+K]+ 378.05609 189.8
[M+H-H2O]+ 322.09019 173.2
[M+HCOO]- 384.09113 199.0
[M+CH3COO]- 398.10678 193.0
[M+Na-2H]- 360.06760 179.9
[M]+ 339.09238 191.9
[M]- 339.09348 191.9
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

patents stripe