CID 701041

5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)N)Cl
InChI
InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKey
KMPMCIAXAISHFL-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

55
Patents

224.0175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 145.5
[M+Na]+ 247.00672 156.2
[M-H]- 223.01022 151.4
[M+NH4]+ 242.05132 165.6
[M+K]+ 262.98066 150.3
[M+H-H2O]+ 207.01476 139.5
[M+HCOO]- 269.01570 161.4
[M+CH3COO]- 283.03135 159.0
[M+Na-2H]- 244.99217 147.4
[M]+ 224.01695 147.9
[M]- 224.01805 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe