CID 4156007

Phenol, 4-(2-benzothiazolyl)-2,6-dimethoxy-

Structural Information

Molecular Formula
C15H13NO3S
SMILES
COC1=CC(=CC(=C1O)OC)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H13NO3S/c1-18-11-7-9(8-12(19-2)14(11)17)15-16-10-5-3-4-6-13(10)20-15/h3-8,17H,1-2H3
InChIKey
PHSQSVCORPBGNP-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

287.0616 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06888 162.0
[M+Na]+ 310.05082 174.0
[M-H]- 286.05432 168.8
[M+NH4]+ 305.09542 180.0
[M+K]+ 326.02476 169.2
[M+H-H2O]+ 270.05886 155.5
[M+HCOO]- 332.05980 181.1
[M+CH3COO]- 346.07545 175.4
[M+Na-2H]- 308.03627 165.1
[M]+ 287.06105 169.6
[M]- 287.06215 169.6
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

patents stripe