CID 20982897

{2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C11H11ClN2S
SMILES
C1=CC(=CC=C1CC2=NC(=CS2)CN)Cl
InChI
InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)5-11-14-10(6-13)7-15-11/h1-4,7H,5-6,13H2
InChIKey
YYVKOGQLZIBLIK-UHFFFAOYSA-N
Compound name
[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

238.03314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04042 150.3
[M+Na]+ 261.02236 164.0
[M+NH4]+ 256.06696 160.1
[M+K]+ 276.99630 155.5
[M-H]- 237.02586 155.0
[M+Na-2H]- 259.00781 158.3
[M]+ 238.03259 154.4
[M]- 238.03369 154.4
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.