CID 6435618

1,1-diphenyl-4-morpholino-3-buten-2-one hydrochloride

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]+ 308.16451 174.5
[M+Na]+ 330.14645 176.6
[M-H]- 306.14995 181.4
[M+NH4]+ 325.19105 184.8
[M+K]+ 346.12039 173.0
[M+H-H2O]+ 290.15449 164.1
[M+HCOO]- 352.15543 190.3
[M+CH3COO]- 366.17108 183.2
[M+Na-2H]- 328.13190 177.0
[M]+ 307.15668 169.6
[M]- 307.15778 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.