CID 4184404

N-{1-[(4-chlorophenyl)sulfanyl]-2-oxo-2-phenylethyl}furan-2-carboxamide

Structural Information

Molecular Formula
C19H14ClNO3S
SMILES
C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CO2)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO3S/c20-14-8-10-15(11-9-14)25-19(17(22)13-5-2-1-3-6-13)21-18(23)16-7-4-12-24-16/h1-12,19H,(H,21,23)
InChIKey
QXLKMKFUSOOLDO-UHFFFAOYSA-N
Compound name
N-[1-(4-chlorophenyl)sulfanyl-2-oxo-2-phenylethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0383 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04558 186.8
[M+Na]+ 394.02752 193.3
[M-H]- 370.03102 197.4
[M+NH4]+ 389.07212 199.8
[M+K]+ 410.00146 188.7
[M+H-H2O]+ 354.03556 179.7
[M+HCOO]- 416.03650 200.4
[M+CH3COO]- 430.05215 197.3
[M+Na-2H]- 392.01297 186.2
[M]+ 371.03775 191.8
[M]- 371.03885 191.8
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.