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 152.9
[M+Na]+ 277.01728 162.9
[M-H]- 253.02078 159.1
[M+NH4]+ 272.06188 171.9
[M+K]+ 292.99122 157.7
[M+H-H2O]+ 237.02532 146.4
[M+HCOO]- 299.02626 169.3
[M+CH3COO]- 313.04191 166.0
[M+Na-2H]- 275.00273 155.4
[M]+ 254.02751 157.9
[M]- 254.02861 157.9
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.