CID 3002817

(2e)-3-chloro-3-phenyl-2-(phenylcarbonylamino)-n-(1,3-thiazolin-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C19H16ClN3O2S
SMILES
C1CSC(=N1)NC(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16ClN3O2S/c20-15(13-7-3-1-4-8-13)16(18(25)23-19-21-11-12-26-19)22-17(24)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,22,24)(H,21,23,25)/b16-15+
InChIKey
XEEBSLMFJSNFFS-FOCLMDBBSA-N
Compound name
N-[(E)-1-chloro-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.0652 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07248 189.1
[M+Na]+ 408.05442 192.9
[M-H]- 384.05792 197.0
[M+NH4]+ 403.09902 200.9
[M+K]+ 424.02836 186.8
[M+H-H2O]+ 368.06246 180.8
[M+HCOO]- 430.06340 200.9
[M+CH3COO]- 444.07905 215.3
[M+Na-2H]- 406.03987 187.7
[M]+ 385.06465 188.9
[M]- 385.06575 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.