CID 68279544

Mhy884

Structural Information

Molecular Formula
C15H14ClNO3S
SMILES
COC1=CC(=CC(=C1O)OC)C2NC3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C15H14ClNO3S/c1-19-11-5-8(6-12(20-2)14(11)18)15-17-10-7-9(16)3-4-13(10)21-15/h3-7,15,17-18H,1-2H3
InChIKey
LQDWIAAYFSZPAR-UHFFFAOYSA-N
Compound name
4-(5-chloro-2,3-dihydro-1,3-benzothiazol-2-yl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

323.0383 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04558 170.4
[M+Na]+ 346.02752 184.6
[M+NH4]+ 341.07212 179.2
[M+K]+ 362.00146 177.0
[M-H]- 322.03102 173.7
[M+Na-2H]- 344.01297 175.8
[M]+ 323.03775 174.2
[M]- 323.03885 174.2
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