CID 3044283

Rmi 61220

Structural Information

Molecular Formula
C29H28N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
InChI
InChI=1S/C29H28N2O5/c1-34-25-17-20(18-26(35-2)28(25)36-3)29(33)31-14-12-30(13-15-31)24-16-19-8-4-5-9-21(19)27(32)23-11-7-6-10-22(23)24/h4-11,16-18H,12-15H2,1-3H3
InChIKey
PGYYKNPQBRHAKK-UHFFFAOYSA-N
Compound name
9-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.19983 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.20711 221.4
[M+Na]+ 507.18905 235.7
[M+NH4]+ 502.23365 226.8
[M+K]+ 523.16299 228.1
[M-H]- 483.19255 226.6
[M+Na-2H]- 505.17450 227.6
[M]+ 484.19928 225.1
[M]- 484.20038 225.1
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.