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
Annotation Hits

0
References

0
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 150.0
[M+Na]+ 261.02236 160.2
[M-H]- 237.02586 155.6
[M+NH4]+ 256.06696 169.5
[M+K]+ 276.99630 154.1
[M+H-H2O]+ 221.03040 143.7
[M+HCOO]- 283.03134 165.5
[M+CH3COO]- 297.04699 163.0
[M+Na-2H]- 259.00781 151.3
[M]+ 238.03259 152.7
[M]- 238.03369 152.7
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.