CID 202826

9,10-dihydro-11-((2-pyrrolidinylethoxy)methyl)-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C23H27NO
SMILES
C1CCN(C1)CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C23H27NO/c1-3-9-20-18(7-1)22-15-17(16-25-14-13-24-11-5-6-12-24)23(20)21-10-4-2-8-19(21)22/h1-4,7-10,17,22-23H,5-6,11-16H2
InChIKey
ZUKODFSUNVZXRK-UHFFFAOYSA-N
Compound name
1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.216536 175.5
[M+Na]+ 356.198478 177.7
[M-H]- 332.201984 178.1
[M+NH4]+ 351.243083 193.6
[M+K]+ 372.172418 171.4
[M+H-H2O]+ 316.206520 165.2
[M+HCOO]- 378.207461 185.2
[M+CH3COO]- 392.223111 183.3
[M+Na-2H]- 354.183926 179.9
[M]+ 333.20871142 175.4
[M]- 333.20980858 175.4
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