CID 202914

9,10-ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, 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]+ 334.216536 175.4
[M+Na]+ 356.198478 176.4
[M-H]- 332.201984 177.2
[M+NH4]+ 351.243083 191.2
[M+K]+ 372.172418 170.3
[M+H-H2O]+ 316.206520 163.5
[M+HCOO]- 378.207461 182.6
[M+CH3COO]- 392.223111 182.2
[M+Na-2H]- 354.183926 181.9
[M]+ 333.20871142 172.8
[M]- 333.20980858 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