CID 515694

1-[2-[4-[2-(1-piperidyl)ethoxy]fluoranthen-8-yl]oxyethyl]piperidine

Structural Information

Molecular Formula
C30H36N2O2
SMILES
C1CCN(CC1)CCOC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)OCCN6CCCCC6
InChI
InChI=1S/C30H36N2O2/c1-3-14-31(15-4-1)18-20-33-23-10-11-24-25-8-7-9-27-29(13-12-26(30(25)27)28(24)22-23)34-21-19-32-16-5-2-6-17-32/h7-13,22H,1-6,14-21H2
InChIKey
CCCIMIGKLXRFTH-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-piperidin-1-ylethoxy)fluoranthen-8-yl]oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

456.27768 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28496 213.0
[M+Na]+ 479.26690 214.0
[M-H]- 455.27040 218.5
[M+NH4]+ 474.31150 222.0
[M+K]+ 495.24084 206.2
[M+H-H2O]+ 439.27494 199.1
[M+HCOO]- 501.27588 221.4
[M+CH3COO]- 515.29153 217.7
[M+Na-2H]- 477.25235 211.1
[M]+ 456.27713 209.1
[M]- 456.27823 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe