CID 62797389

Akos012092154

Structural Information

Molecular Formula
C13H15ClN2S
SMILES
CC1=CSC(=N1)CC(CC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C13H15ClN2S/c1-9-8-17-13(16-9)7-12(15)6-10-3-2-4-11(14)5-10/h2-5,8,12H,6-7,15H2,1H3
InChIKey
IPOWTMHXPSZGNB-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06445 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07173 159.3
[M+Na]+ 289.05367 172.3
[M+NH4]+ 284.09827 168.8
[M+K]+ 305.02761 164.2
[M-H]- 265.05717 163.8
[M+Na-2H]- 287.03912 166.5
[M]+ 266.06390 163.2
[M]- 266.06500 163.2
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.