CID 79824023

1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine

Structural Information

Molecular Formula
C12H13ClN2S
SMILES
C1=CC(=CC(=C1)Cl)CC(CC2=NC=CS2)N
InChI
InChI=1S/C12H13ClN2S/c13-10-3-1-2-9(6-10)7-11(14)8-12-15-4-5-16-12/h1-6,11H,7-8,14H2
InChIKey
SVQCNUNXUAFZOU-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0488 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.056076 154.6
[M+Na]+ 275.038018 163.2
[M-H]- 251.041524 159.9
[M+NH4]+ 270.082623 173.2
[M+K]+ 291.011958 157.3
[M+H-H2O]+ 235.046060 148.0
[M+HCOO]- 297.047001 168.9
[M+CH3COO]- 311.062651 166.8
[M+Na-2H]- 273.023466 155.2
[M]+ 252.04825142 156.8
[M]- 252.04934858 156.8
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.