CID 68279544

4-(5-chloro-2,3-dihydrobenzo[d]thiazol-2-yl)-2,6-dimethoxyphenol

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

12
Patents

323.0383 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.045576 169.5
[M+Na]+ 346.027518 180.4
[M-H]- 322.031024 174.3
[M+NH4]+ 341.072123 186.2
[M+K]+ 362.001458 173.9
[M+H-H2O]+ 306.035560 164.3
[M+HCOO]- 368.036501 179.6
[M+CH3COO]- 382.052151 181.0
[M+Na-2H]- 344.012966 169.5
[M]+ 323.03775142 175.0
[M]- 323.03884858 175.0
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