CID 1214898

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

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
C1CSC(=N1)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKey
IASPZIUPJFUGFE-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.03314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 146.8
[M+Na]+ 249.02236 159.8
[M+NH4]+ 244.06696 156.9
[M+K]+ 264.99630 151.3
[M-H]- 225.02586 151.5
[M+Na-2H]- 247.00781 154.9
[M]+ 226.03259 150.7
[M]- 226.03369 150.7
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

patents stripe