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

0
Patents

333.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 175.5
[M+Na]+ 356.19848 177.7
[M-H]- 332.20198 178.1
[M+NH4]+ 351.24308 193.6
[M+K]+ 372.17242 171.4
[M+H-H2O]+ 316.20652 165.2
[M+HCOO]- 378.20746 185.2
[M+CH3COO]- 392.22311 183.3
[M+Na-2H]- 354.18393 179.9
[M]+ 333.20871 175.4
[M]- 333.20981 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