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

62
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

literature stripe

Patent stripe

patents stripe