CID 1051540

970-85-4

Structural Information

Molecular Formula
C17H23NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2
InChI
InChI=1S/C17H23NO4/c1-20-14-11-13(12-15(21-2)17(14)22-3)7-8-16(19)18-9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3/b8-7+
InChIKey
GGOVLAUMYLPYAZ-BQYQJAHWSA-N
Compound name
(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.1
[M+Na]+ 328.15194 177.2
[M-H]- 304.15544 176.6
[M+NH4]+ 323.19654 185.6
[M+K]+ 344.12588 174.8
[M+H-H2O]+ 288.15998 163.4
[M+HCOO]- 350.16092 190.1
[M+CH3COO]- 364.17657 204.3
[M+Na-2H]- 326.13739 172.5
[M]+ 305.16217 173.2
[M]- 305.16327 173.2
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