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]+ 422.98868 195.4
[M+Na]+ 444.97062 205.3
[M-H]- 420.97412 202.6
[M+NH4]+ 440.01522 208.0
[M+K]+ 460.94456 196.1
[M+H-H2O]+ 404.97866 188.5
[M+HCOO]- 466.97960 199.4
[M+CH3COO]- 480.99525 204.5
[M+Na-2H]- 442.95607 192.1
[M]+ 421.98085 201.0
[M]- 421.98195 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.