CID 2130446

N-[5-(4-bromobenzyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

Structural Information

Molecular Formula
C18H14BrClN2O2S
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl)Br
InChI
InChI=1S/C18H14BrClN2O2S/c19-13-3-1-12(2-4-13)9-16-10-21-18(25-16)22-17(23)11-24-15-7-5-14(20)6-8-15/h1-8,10H,9,11H2,(H,21,22,23)
InChIKey
WZFJHENEJIXVFP-UHFFFAOYSA-N
Compound name
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.96478 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.97206 183.4
[M+Na]+ 458.95400 195.6
[M-H]- 434.95750 194.9
[M+NH4]+ 453.99860 198.8
[M+K]+ 474.92794 181.2
[M+H-H2O]+ 418.96204 182.2
[M+HCOO]- 480.96298 196.6
[M+CH3COO]- 494.97863 196.2
[M+Na-2H]- 456.93945 185.5
[M]+ 435.96423 207.5
[M]- 435.96533 207.5
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.