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 175.0
[M+Na]+ 322.12362 179.6
[M-H]- 298.12712 182.5
[M+NH4]+ 317.16822 192.4
[M+K]+ 338.09756 175.8
[M+H-H2O]+ 282.13166 167.2
[M+HCOO]- 344.13260 193.7
[M+CH3COO]- 358.14825 207.2
[M+Na-2H]- 320.10907 172.8
[M]+ 299.13385 177.9
[M]- 299.13495 177.9
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.