CID 2393481

N-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H14Cl2N2S
SMILES
CCCCNC1=NC(=CS1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2S/c1-2-3-6-16-13-17-12(8-18-13)10-5-4-9(14)7-11(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKey
GWQDAMGDNDSUDX-UHFFFAOYSA-N
Compound name
N-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.02548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03276 165.6
[M+Na]+ 323.01470 175.8
[M-H]- 299.01820 170.9
[M+NH4]+ 318.05930 183.4
[M+K]+ 338.98864 168.5
[M+H-H2O]+ 283.02274 159.5
[M+HCOO]- 345.02368 175.8
[M+CH3COO]- 359.03933 177.4
[M+Na-2H]- 321.00015 165.3
[M]+ 300.02493 171.1
[M]- 300.02603 171.1
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.