CID 47003342

1240527-91-6

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 148.9
[M+Na]+ 287.03802 160.4
[M-H]- 263.04152 158.0
[M+NH4]+ 282.08262 162.6
[M+K]+ 303.01196 153.5
[M+H-H2O]+ 247.04606 142.5
[M+HCOO]- 309.04700 164.8
[M+CH3COO]- 323.06265 161.7
[M+Na-2H]- 285.02347 149.8
[M]+ 264.04825 153.7
[M]- 264.04935 153.7
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.