CID 2756846

676348-26-8

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]+ 330.989916 159.7
[M+Na]+ 352.971858 173.1
[M-H]- 328.975364 171.3
[M+NH4]+ 348.016463 178.5
[M+K]+ 368.945798 159.3
[M+H-H2O]+ 312.979900 158.9
[M+HCOO]- 374.980841 178.3
[M+CH3COO]- 388.996491 174.5
[M+Na-2H]- 350.957306 163.4
[M]+ 329.98209142 178.8
[M]- 329.98318858 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.