CID 47003342

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

Structural Information

Molecular Formula
C13H13ClN2S
SMILES
C1CC1C2=C(SC(=N2)N)CC3=CC=CC=C3Cl
InChI
InChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16)
InChIKey
CXYYFBAVWMTNBT-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0488 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05608 157.4
[M+Na]+ 287.03802 172.6
[M+NH4]+ 282.08262 167.8
[M+K]+ 303.01196 165.5
[M-H]- 263.04152 170.0
[M+Na-2H]- 285.02347 168.1
[M]+ 264.04825 165.0
[M]- 264.04935 165.0
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.