CID 6435618

100482-63-1

Structural Information

Molecular Formula
C20H21NO2
SMILES
C1COCCN1/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO2/c22-19(11-12-21-13-15-23-16-14-21)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,20H,13-16H2/b12-11+
InChIKey
UJNSORZCMQKEGX-VAWYXSNFSA-N
Compound name
(E)-4-morpholin-4-yl-1,1-diphenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 174.5
[M+Na]+ 330.146448 176.6
[M-H]- 306.149954 181.4
[M+NH4]+ 325.191053 184.8
[M+K]+ 346.120388 173.0
[M+H-H2O]+ 290.154490 164.1
[M+HCOO]- 352.155431 190.3
[M+CH3COO]- 366.171081 183.2
[M+Na-2H]- 328.131896 177.0
[M]+ 307.15668142 169.6
[M]- 307.15777858 169.6
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.