CID 6435616

4-(diethylamino)-1-phenyl-1-(2-thienyl)-3-buten-2-one maleate

Structural Information

Molecular Formula
C18H21NOS
SMILES
CCN(CC)/C=C/C(=O)C(C1=CC=CC=C1)C2=CC=CS2
InChI
InChI=1S/C18H21NOS/c1-3-19(4-2)13-12-16(20)18(17-11-8-14-21-17)15-9-6-5-7-10-15/h5-14,18H,3-4H2,1-2H3/b13-12+
InChIKey
TXLFLIATMBICFI-OUKQBFOZSA-N
Compound name
(E)-4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14168 172.8
[M+Na]+ 322.12362 183.1
[M+NH4]+ 317.16822 181.1
[M+K]+ 338.09756 175.5
[M-H]- 298.12712 177.1
[M+Na-2H]- 320.10907 179.5
[M]+ 299.13385 175.8
[M]- 299.13495 175.8
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.