CID 3786631

4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C13H14ClNO2S
SMILES
CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCl)OC
InChI
InChI=1S/C13H14ClNO2S/c1-3-17-11-5-4-9(6-12(11)16-2)13-15-10(7-14)8-18-13/h4-6,8H,3,7H2,1-2H3
InChIKey
AVDSCEDUZYFGFQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.04337 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05065 162.1
[M+Na]+ 306.03259 176.4
[M+NH4]+ 301.07719 171.2
[M+K]+ 322.00653 168.0
[M-H]- 282.03609 165.8
[M+Na-2H]- 304.01804 169.2
[M]+ 283.04282 166.1
[M]- 283.04392 166.1
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

No patent data available for this compound.