CID 1556612

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

Structural Information

Molecular Formula
C19H13Cl3N2OS
SMILES
C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H13Cl3N2OS/c20-14-5-1-12(2-6-14)9-15-11-23-19(26-15)24-18(25)8-4-13-3-7-16(21)17(22)10-13/h1-8,10-11H,9H2,(H,23,24,25)/b8-4+
InChIKey
RIDIGKLGLRARSY-XBXARRHUSA-N
Compound name
(E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.9814 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.988676 195.4
[M+Na]+ 444.970618 205.3
[M-H]- 420.974124 202.6
[M+NH4]+ 440.015223 208.0
[M+K]+ 460.944558 196.1
[M+H-H2O]+ 404.978660 188.5
[M+HCOO]- 466.979601 199.4
[M+CH3COO]- 480.995251 204.5
[M+Na-2H]- 442.956066 192.1
[M]+ 421.98085142 201.0
[M]- 421.98194858 201.0
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.