CID 883407

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

Structural Information

Molecular Formula
C16H12Cl2N2S
SMILES
C1=CC=C(C=C1)CNC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2S/c17-12-6-7-13(14(18)8-12)15-10-21-16(20-15)19-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChIKey
NQPMPMQIXYBZQD-UHFFFAOYSA-N
Compound name
N-benzyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.00983 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01711 173.4
[M+Na]+ 356.99905 184.1
[M-H]- 333.00255 181.9
[M+NH4]+ 352.04365 189.5
[M+K]+ 372.97299 175.7
[M+H-H2O]+ 317.00709 166.3
[M+HCOO]- 379.00803 184.3
[M+CH3COO]- 393.02368 185.0
[M+Na-2H]- 354.98450 174.2
[M]+ 334.00928 178.1
[M]- 334.01038 178.1
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.