CID 6477780

Nsc636676

Structural Information

Molecular Formula
C26H28N2O3
SMILES
C1COCCN1CCC(=O)N2C/C(=C\C3=CC=CC=C3)/C(=O)/C(=C\C4=CC=CC=C4)/C2
InChI
InChI=1S/C26H28N2O3/c29-25(11-12-27-13-15-31-16-14-27)28-19-23(17-21-7-3-1-4-8-21)26(30)24(20-28)18-22-9-5-2-6-10-22/h1-10,17-18H,11-16,19-20H2/b23-17-,24-18+
InChIKey
PNVOOWKMZIZKOG-QFFDILLMSA-N
Compound name
(3Z,5E)-3,5-dibenzylidene-1-(3-morpholin-4-ylpropanoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 205.4
[M+Na]+ 439.19922 206.6
[M-H]- 415.20272 213.1
[M+NH4]+ 434.24382 209.6
[M+K]+ 455.17316 200.5
[M+H-H2O]+ 399.20726 192.0
[M+HCOO]- 461.20820 216.0
[M+CH3COO]- 475.22385 210.9
[M+Na-2H]- 437.18467 202.7
[M]+ 416.20945 197.5
[M]- 416.21055 197.5
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.