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

27
Patents

269.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 156.4
[M+Na]+ 292.01696 167.6
[M-H]- 268.02046 163.0
[M+NH4]+ 287.06156 175.5
[M+K]+ 307.99090 163.0
[M+H-H2O]+ 252.02500 150.3
[M+HCOO]- 314.02594 171.8
[M+CH3COO]- 328.04159 193.5
[M+Na-2H]- 290.00241 157.2
[M]+ 269.02719 164.4
[M]- 269.02829 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