CID 2053069

Nsc721132

Structural Information

Molecular Formula
C24H27NO5
SMILES
CCCN1C/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C1
InChI
InChI=1S/C24H27NO5/c1-4-9-25-14-18(10-16-5-7-20(26)22(12-16)29-2)24(28)19(15-25)11-17-6-8-21(27)23(13-17)30-3/h5-8,10-13,26-27H,4,9,14-15H2,1-3H3/b18-10+,19-11+
InChIKey
QEQQLTXYPHXCKT-XOBNHNQQSA-N
Compound name
(3E,5E)-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-propylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.18893 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19621 200.4
[M+Na]+ 432.17815 206.5
[M-H]- 408.18165 205.9
[M+NH4]+ 427.22275 208.4
[M+K]+ 448.15209 200.4
[M+H-H2O]+ 392.18619 190.3
[M+HCOO]- 454.18713 215.3
[M+CH3COO]- 468.20278 222.5
[M+Na-2H]- 430.16360 197.0
[M]+ 409.18838 200.4
[M]- 409.18948 200.4
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.