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 196.6
[M+Na]+ 485.02938 205.3
[M-H]- 461.03288 209.9
[M+NH4]+ 480.07398 209.1
[M+K]+ 501.00332 191.6
[M+H-H2O]+ 445.03742 194.1
[M+HCOO]- 507.03836 212.3
[M+CH3COO]- 521.05401 207.6
[M+Na-2H]- 483.01483 197.7
[M]+ 462.03961 215.7
[M]- 462.04071 215.7
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.