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 163.4
[M+Na]+ 364.97186 175.2
[M-H]- 340.97536 176.0
[M+NH4]+ 360.01646 182.0
[M+K]+ 380.94580 162.4
[M+H-H2O]+ 324.97990 162.1
[M+HCOO]- 386.98084 182.9
[M+CH3COO]- 400.99649 177.9
[M+Na-2H]- 362.95731 168.1
[M]+ 341.98209 183.4
[M]- 341.98319 183.4
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