CID 2079396

4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
COC1=C(C=C(C=C1)C2=NC(=CS2)CCl)OC
InChI
InChI=1S/C12H12ClNO2S/c1-15-10-4-3-8(5-11(10)16-2)12-14-9(6-13)7-17-12/h3-5,7H,6H2,1-2H3
InChIKey
ZSIIOHCIYAMPJW-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

269.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.035016 156.4
[M+Na]+ 292.016958 167.6
[M-H]- 268.020464 163.0
[M+NH4]+ 287.061563 175.5
[M+K]+ 307.990898 163.0
[M+H-H2O]+ 252.025000 150.3
[M+HCOO]- 314.025941 171.8
[M+CH3COO]- 328.041591 193.5
[M+Na-2H]- 290.002406 157.2
[M]+ 269.02719142 164.4
[M]- 269.02828858 164.4
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