CID 6477770

Nsc634786

Structural Information

Molecular Formula
C27H30N2O2
SMILES
C1CCN(CC1)CCC(=O)N2C/C(=C/C3=CC=CC=C3)/C(=O)/C(=C\C4=CC=CC=C4)/C2
InChI
InChI=1S/C27H30N2O2/c30-26(14-17-28-15-8-3-9-16-28)29-20-24(18-22-10-4-1-5-11-22)27(31)25(21-29)19-23-12-6-2-7-13-23/h1-2,4-7,10-13,18-19H,3,8-9,14-17,20-21H2/b24-18-,25-19-
InChIKey
FQEUNMBWPCOHCF-GJEUYDLNSA-N
Compound name
(3Z,5Z)-3,5-dibenzylidene-1-(3-piperidin-1-ylpropanoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23802 206.0
[M+Na]+ 437.21996 206.6
[M-H]- 413.22346 212.8
[M+NH4]+ 432.26456 211.6
[M+K]+ 453.19390 198.6
[M+H-H2O]+ 397.22800 192.5
[M+HCOO]- 459.22894 216.9
[M+CH3COO]- 473.24459 211.0
[M+Na-2H]- 435.20541 202.3
[M]+ 414.23019 196.3
[M]- 414.23129 196.3
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.