CID 55608

Brn 4613539

Structural Information

Molecular Formula
C36H42N2O3
SMILES
CC(=O)C1=C(C=C(C=C1)OCCCN2CCC(=CC2)C3=CC=CC=C3)OCCCN4CCC(=CC4)C5=CC=CC=C5
InChI
InChI=1S/C36H42N2O3/c1-29(39)35-15-14-34(40-26-8-20-37-22-16-32(17-23-37)30-10-4-2-5-11-30)28-36(35)41-27-9-21-38-24-18-33(19-25-38)31-12-6-3-7-13-31/h2-7,10-16,18,28H,8-9,17,19-27H2,1H3
InChIKey
XNZZUTGRPPJPDV-UHFFFAOYSA-N
Compound name
1-[2,4-bis[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.3195 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.32678 244.5
[M+Na]+ 573.30872 259.9
[M+NH4]+ 568.35332 250.6
[M+K]+ 589.28266 248.2
[M-H]- 549.31222 254.0
[M+Na-2H]- 571.29417 255.0
[M]+ 550.31895 249.5
[M]- 550.32005 249.5
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.