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]+ 239.040416 150.0
[M+Na]+ 261.022358 160.2
[M-H]- 237.025864 155.6
[M+NH4]+ 256.066963 169.5
[M+K]+ 276.996298 154.1
[M+H-H2O]+ 221.030400 143.7
[M+HCOO]- 283.031341 165.5
[M+CH3COO]- 297.046991 163.0
[M+Na-2H]- 259.007806 151.3
[M]+ 238.03259142 152.7
[M]- 238.03368858 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.