CID 4456143

108237-91-8

Structural Information

Molecular Formula
C15H11BrN2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
InChIKey
OUFYYVAASPLOAA-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

329.98264 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98992 158.7
[M+Na]+ 352.97186 171.3
[M-H]- 328.97536 170.4
[M+NH4]+ 348.01646 177.5
[M+K]+ 368.94580 157.9
[M+H-H2O]+ 312.97990 157.8
[M+HCOO]- 374.98084 177.9
[M+CH3COO]- 388.99649 173.4
[M+Na-2H]- 350.95731 164.0
[M]+ 329.98209 178.3
[M]- 329.98319 178.3
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.