CID 1879302

3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidinone

Structural Information

Molecular Formula
C22H23NO3
SMILES
CN1C/C(=C\C2=CC=C(C=C2)OC)/C(=O)/C(=C/C3=CC=C(C=C3)OC)/C1
InChI
InChI=1S/C22H23NO3/c1-23-14-18(12-16-4-8-20(25-2)9-5-16)22(24)19(15-23)13-17-6-10-21(26-3)11-7-17/h4-13H,14-15H2,1-3H3/b18-12+,19-13+
InChIKey
OKMDTMGJNJKWAE-KLCVKJMQSA-N
Compound name
(3E,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

349.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 185.2
[M+Na]+ 372.15702 191.8
[M-H]- 348.16052 193.1
[M+NH4]+ 367.20162 196.8
[M+K]+ 388.13096 186.0
[M+H-H2O]+ 332.16506 174.9
[M+HCOO]- 394.16600 203.6
[M+CH3COO]- 408.18165 214.0
[M+Na-2H]- 370.14247 184.8
[M]+ 349.16725 184.4
[M]- 349.16835 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe