CID 3011970

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

Structural Information

Molecular Formula
C34H33NO
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2CCN3CCCC3)C4=CC5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C34H33NO/c1-36-28-18-16-26(17-19-28)34(30-13-5-2-10-25(30)20-23-35-21-8-9-22-35)33-24-27-11-3-4-12-29(27)31-14-6-7-15-32(31)33/h2-7,10-19,24,34H,8-9,20-23H2,1H3
InChIKey
BIKJCXHOKSSTJK-UHFFFAOYSA-N
Compound name
1-[2-[2-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenyl]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.25623 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.26351 221.3
[M+Na]+ 494.24545 225.6
[M-H]- 470.24895 232.6
[M+NH4]+ 489.29005 229.8
[M+K]+ 510.21939 216.4
[M+H-H2O]+ 454.25349 207.9
[M+HCOO]- 516.25443 236.8
[M+CH3COO]- 530.27008 227.9
[M+Na-2H]- 492.23090 219.9
[M]+ 471.25568 220.0
[M]- 471.25678 220.0
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.