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 241.5
[M+Na]+ 573.30872 240.3
[M-H]- 549.31222 250.5
[M+NH4]+ 568.35332 240.6
[M+K]+ 589.28266 232.5
[M+H-H2O]+ 533.31676 224.7
[M+HCOO]- 595.31770 252.2
[M+CH3COO]- 609.33335 244.0
[M+Na-2H]- 571.29417 236.7
[M]+ 550.31895 238.1
[M]- 550.32005 238.1
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.