CID 1556532

N-(5-(4-bromobenzyl)-1,3-thiazol-2-yl)-2,2-diphenylacetamide

Structural Information

Molecular Formula
C24H19BrN2OS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C24H19BrN2OS/c25-20-13-11-17(12-14-20)15-21-16-26-24(29-21)27-23(28)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,22H,15H2,(H,26,27,28)
InChIKey
ZGGLFIPCFVJDEW-UHFFFAOYSA-N
Compound name
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.04016 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.04744 189.0
[M+Na]+ 485.02938 194.5
[M+NH4]+ 480.07398 194.1
[M+K]+ 501.00332 191.8
[M-H]- 461.03288 195.5
[M+Na-2H]- 483.01483 197.6
[M]+ 462.03961 191.1
[M]- 462.04071 191.1
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.