CID 3011958

1-[2-[4-[(2-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]ethyl]pyrrolidine

Structural Information

Molecular Formula
C34H33NO2
SMILES
COC1=CC=CC=C1C(C2=CC=C(C=C2)OCCN3CCCC3)C4=CC5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C34H33NO2/c1-36-33-15-7-6-14-31(33)34(25-16-18-27(19-17-25)37-23-22-35-20-8-9-21-35)32-24-26-10-2-3-11-28(26)29-12-4-5-13-30(29)32/h2-7,10-19,24,34H,8-9,20-23H2,1H3
InChIKey
BGLNCCHRLJSJCS-UHFFFAOYSA-N
Compound name
1-[2-[4-[(2-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.25113 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.25841 224.1
[M+Na]+ 510.24035 228.1
[M-H]- 486.24385 235.5
[M+NH4]+ 505.28495 231.9
[M+K]+ 526.21429 219.8
[M+H-H2O]+ 470.24839 210.6
[M+HCOO]- 532.24933 239.8
[M+CH3COO]- 546.26498 230.5
[M+Na-2H]- 508.22580 222.9
[M]+ 487.25058 224.2
[M]- 487.25168 224.2
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.