CID 2121616

4-(chloromethyl)-n-(4-methoxyphenyl)-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
COC1=CC=C(C=C1)NC2=NC(=CS2)CCl
InChI
InChI=1S/C11H11ClN2OS/c1-15-10-4-2-8(3-5-10)13-11-14-9(6-12)7-16-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
GRVYFWDXLXBKSO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 153.6
[M+Na]+ 277.01728 167.1
[M+NH4]+ 272.06188 163.0
[M+K]+ 292.99122 158.9
[M-H]- 253.02078 158.0
[M+Na-2H]- 275.00273 161.6
[M]+ 254.02751 157.5
[M]- 254.02861 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.