CID 6092160

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

Structural Information

Molecular Formula
C19H13BrCl2N2OS
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)/C=C/C3=C(C=CC(=C3)Cl)Cl)Br
InChI
InChI=1S/C19H13BrCl2N2OS/c20-14-4-1-12(2-5-14)9-16-11-23-19(26-16)24-18(25)8-3-13-10-15(21)6-7-17(13)22/h1-8,10-11H,9H2,(H,23,24,25)/b8-3+
InChIKey
NRPNZCLYKGVCBM-FPYGCLRLSA-N
Compound name
(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.9309 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.93818 189.6
[M+Na]+ 488.92012 203.2
[M-H]- 464.92362 200.6
[M+NH4]+ 483.96472 204.7
[M+K]+ 504.89406 186.5
[M+H-H2O]+ 448.92816 189.0
[M+HCOO]- 510.92910 197.6
[M+CH3COO]- 524.94475 201.8
[M+Na-2H]- 486.90557 189.7
[M]+ 465.93035 213.2
[M]- 465.93145 213.2
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.