CID 6477779

Nsc636675

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C1CCN(C1)CCC(=O)N2C/C(=C\C3=CC=CC=C3)/C(=O)/C(=C\C4=CC=CC=C4)/C2
InChI
InChI=1S/C26H28N2O2/c29-25(13-16-27-14-7-8-15-27)28-19-23(17-21-9-3-1-4-10-21)26(30)24(20-28)18-22-11-5-2-6-12-22/h1-6,9-12,17-18H,7-8,13-16,19-20H2/b23-17-,24-18+
InChIKey
MQKOVQRHVUBDFD-QFFDILLMSA-N
Compound name
(3Z,5E)-3,5-dibenzylidene-1-(3-pyrrolidin-1-ylpropanoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 201.7
[M+Na]+ 423.20432 203.8
[M-H]- 399.20782 209.6
[M+NH4]+ 418.24892 210.2
[M+K]+ 439.17826 196.1
[M+H-H2O]+ 383.21236 189.6
[M+HCOO]- 445.21330 215.5
[M+CH3COO]- 459.22895 208.2
[M+Na-2H]- 421.18977 196.6
[M]+ 400.21455 194.3
[M]- 400.21565 194.3
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.