CID 3011971

1-[2-[2-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenyl]ethyl]piperidine

Structural Information

Molecular Formula
C35H35NO
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2CCN3CCCCC3)C4=CC5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C35H35NO/c1-37-29-19-17-27(18-20-29)35(31-14-6-3-11-26(31)21-24-36-22-9-2-10-23-36)34-25-28-12-4-5-13-30(28)32-15-7-8-16-33(32)34/h3-8,11-20,25,35H,2,9-10,21-24H2,1H3
InChIKey
XHAMGDOKMDBZTL-UHFFFAOYSA-N
Compound name
1-[2-[2-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenyl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.27185 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.27913 225.3
[M+Na]+ 508.26107 228.0
[M-H]- 484.26457 235.2
[M+NH4]+ 503.30567 230.9
[M+K]+ 524.23501 218.7
[M+H-H2O]+ 468.26911 210.0
[M+HCOO]- 530.27005 237.9
[M+CH3COO]- 544.28570 230.3
[M+Na-2H]- 506.24652 225.6
[M]+ 485.27130 221.6
[M]- 485.27240 221.6
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.