CID 5271003

1-[[4-[2-(4-chlorophenyl)thiazol-4-yl]phenyl]methylsulfanyl]-2-methyl-propan-2-amine

Structural Information

Molecular Formula
C20H21ClN2S2
SMILES
CC(C)(CSCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C20H21ClN2S2/c1-20(2,22)13-24-11-14-3-5-15(6-4-14)18-12-25-19(23-18)16-7-9-17(21)10-8-16/h3-10,12H,11,13,22H2,1-2H3
InChIKey
KUGZBIPWLSXBQL-UHFFFAOYSA-N
Compound name
1-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methylsulfanyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.08347 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09075 190.0
[M+Na]+ 411.07269 199.3
[M-H]- 387.07619 198.1
[M+NH4]+ 406.11729 203.8
[M+K]+ 427.04663 190.1
[M+H-H2O]+ 371.08073 182.9
[M+HCOO]- 433.08167 197.4
[M+CH3COO]- 447.09732 199.8
[M+Na-2H]- 409.05814 188.2
[M]+ 388.08292 194.3
[M]- 388.08402 194.3
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.