CID 202914

11-(2-piperidinoethoxy)-9,10-dihydro-9,10-ethanoanthracene fumarate

Structural Information

Molecular Formula
C23H27NO
SMILES
C1CCN(CC1)CCOC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C23H27NO/c1-6-12-24(13-7-1)14-15-25-22-16-21-17-8-2-4-10-19(17)23(22)20-11-5-3-9-18(20)21/h2-5,8-11,21-23H,1,6-7,12-16H2
InChIKey
DLKBYDJMLZTFMR-UHFFFAOYSA-N
Compound name
1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 175.4
[M+Na]+ 356.19848 176.4
[M-H]- 332.20198 177.2
[M+NH4]+ 351.24308 191.2
[M+K]+ 372.17242 170.3
[M+H-H2O]+ 316.20652 163.5
[M+HCOO]- 378.20746 182.6
[M+CH3COO]- 392.22311 182.2
[M+Na-2H]- 354.18393 181.9
[M]+ 333.20871 172.8
[M]- 333.20981 172.8
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

patents stripe