CID 134274

Brn 1405376

Structural Information

Molecular Formula
C30H27NO2
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6
InChI
InChI=1S/C30H27NO2/c1-2-9-24(10-3-1)30-28(29-26-11-5-4-8-22(26)14-17-27(29)33-30)23-12-15-25(16-13-23)32-21-20-31-18-6-7-19-31/h1-5,8-17H,6-7,18-21H2
InChIKey
WVTGNUJIBOIUOM-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2042 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21148 206.0
[M+Na]+ 456.19342 212.9
[M-H]- 432.19692 219.6
[M+NH4]+ 451.23802 217.4
[M+K]+ 472.16736 206.1
[M+H-H2O]+ 416.20146 195.4
[M+HCOO]- 478.20240 224.7
[M+CH3COO]- 492.21805 215.3
[M+Na-2H]- 454.17887 205.4
[M]+ 433.20365 207.7
[M]- 433.20475 207.7
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.