CID 6435614

3-buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate

Structural Information

Molecular Formula
C20H23NO
SMILES
CCN(CC)/C=C/C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H23NO/c1-3-21(4-2)16-15-19(22)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,20H,3-4H2,1-2H3/b16-15+
InChIKey
TVCJKRNFLVNVPG-FOCLMDBBSA-N
Compound name
(E)-4-(diethylamino)-1,1-diphenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 173.6
[M+Na]+ 316.167198 176.8
[M-H]- 292.170704 180.3
[M+NH4]+ 311.211803 188.4
[M+K]+ 332.141138 173.1
[M+H-H2O]+ 276.175240 164.6
[M+HCOO]- 338.176181 196.0
[M+CH3COO]- 352.191831 209.7
[M+Na-2H]- 314.152646 175.4
[M]+ 293.17743142 173.9
[M]- 293.17852858 173.9
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.