CID 11221592

498574-68-8

Structural Information

Molecular Formula
C16H11BrN2S
SMILES
C1=CC=C(C=C1)C(=NC2=NC=C(S2)Br)C3=CC=CC=C3
InChI
InChI=1S/C16H11BrN2S/c17-14-11-18-16(20-14)19-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKey
PFZJNAYIFUAPPE-UHFFFAOYSA-N
Compound name
N-(5-bromo-1,3-thiazol-2-yl)-1,1-diphenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

341.98264 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98992 158.7
[M+Na]+ 364.97186 164.0
[M+NH4]+ 360.01646 164.9
[M+K]+ 380.94580 161.7
[M-H]- 340.97536 164.0
[M+Na-2H]- 362.95731 167.0
[M]+ 341.98209 160.3
[M]- 341.98319 160.3
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

patents stripe