CID 2756846

4-(4'-bromobiphenyl-4-yl)thiazol-2-ylamine

Structural Information

Molecular Formula
C15H11BrN2S
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CSC(=N3)N
InChI
InChI=1S/C15H11BrN2S/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-19-15(17)18-14/h1-9H,(H2,17,18)
InChIKey
LOWLBQYVCRNFPN-UHFFFAOYSA-N
Compound name
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.98264 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98992 159.7
[M+Na]+ 352.97186 173.1
[M-H]- 328.97536 171.3
[M+NH4]+ 348.01646 178.5
[M+K]+ 368.94580 159.3
[M+H-H2O]+ 312.97990 158.9
[M+HCOO]- 374.98084 178.3
[M+CH3COO]- 388.99649 174.5
[M+Na-2H]- 350.95731 163.4
[M]+ 329.98209 178.8
[M]- 329.98319 178.8
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.