CID 6477769

Nsc634785

Structural Information

Molecular Formula
C26H30N2O2
SMILES
CCN(CCC(=O)N1C/C(=C/C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1)CC
InChI
InChI=1S/C26H30N2O2/c1-3-27(4-2)16-15-25(29)28-19-23(17-21-11-7-5-8-12-21)26(30)24(20-28)18-22-13-9-6-10-14-22/h5-14,17-18H,3-4,15-16,19-20H2,1-2H3/b23-17-,24-18-
InChIKey
XFNBSBJDRCRHLM-BOYKQRMESA-N
Compound name
(3Z,5Z)-3,5-dibenzylidene-1-[3-(diethylamino)propanoyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23802 202.3
[M+Na]+ 425.21996 204.6
[M-H]- 401.22346 209.9
[M+NH4]+ 420.26456 211.2
[M+K]+ 441.19390 198.5
[M+H-H2O]+ 385.22800 190.8
[M+HCOO]- 447.22894 219.8
[M+CH3COO]- 461.24459 229.0
[M+Na-2H]- 423.20541 199.8
[M]+ 402.23019 199.7
[M]- 402.23129 199.7
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.