CID 45051018

N-(2-isopropylphenyl)-3-(4-phenyl-2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C22H21NOS
SMILES
CC(C)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C22H21NOS/c1-16(2)20-10-6-7-11-21(20)23-22(24)13-12-19-14-18(15-25-19)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,23,24)/b13-12+
InChIKey
TZPXJWVOCKVESO-OUKQBFOZSA-N
Compound name
(E)-3-(4-phenylthiophen-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1344 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14168 185.7
[M+Na]+ 370.12362 191.7
[M-H]- 346.12712 195.4
[M+NH4]+ 365.16822 200.6
[M+K]+ 386.09756 185.1
[M+H-H2O]+ 330.13166 177.5
[M+HCOO]- 392.13260 204.1
[M+CH3COO]- 406.14825 213.2
[M+Na-2H]- 368.10907 183.5
[M]+ 347.13385 186.9
[M]- 347.13495 186.9
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.