CID 6478003

Nsc687851

Structural Information

Molecular Formula
C24H23NO4
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)OC)/CN(C2)C(=O)C=C
InChI
InChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13-,20-14-
InChIKey
HUKFHMCTPWIOSR-AXPXABNXSA-N
Compound name
(3Z,5Z)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17000 194.1
[M+Na]+ 412.15194 200.0
[M-H]- 388.15544 201.8
[M+NH4]+ 407.19654 203.7
[M+K]+ 428.12588 193.9
[M+H-H2O]+ 372.15998 183.6
[M+HCOO]- 434.16092 211.4
[M+CH3COO]- 448.17657 221.0
[M+Na-2H]- 410.13739 191.8
[M]+ 389.16217 193.4
[M]- 389.16327 193.4
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.