CID 6435614

4-(diethylamino)-1,1-diphenyl-3-buten-2-one 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]+ 294.18526 173.6
[M+Na]+ 316.16720 176.8
[M-H]- 292.17070 180.3
[M+NH4]+ 311.21180 188.4
[M+K]+ 332.14114 173.1
[M+H-H2O]+ 276.17524 164.6
[M+HCOO]- 338.17618 196.0
[M+CH3COO]- 352.19183 209.7
[M+Na-2H]- 314.15265 175.4
[M]+ 293.17743 173.9
[M]- 293.17853 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.