CID 205015

Pyrrolidine, 1-(2-(2-methyl-9,10-ethanoanthracen-9(10h)-yloxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H27NO
SMILES
CC1=CC2=C(C=C1)C3CCC2(C4=CC=CC=C34)OCCN5CCCC5
InChI
InChI=1S/C23H27NO/c1-17-8-9-20-18-10-11-23(22(20)16-17,21-7-3-2-6-19(18)21)25-15-14-24-12-4-5-13-24/h2-3,6-9,16,18H,4-5,10-15H2,1H3
InChIKey
DMWHWVIQIRHEOB-UHFFFAOYSA-N
Compound name
1-[2-[(4-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.216536 177.5
[M+Na]+ 356.198478 181.1
[M-H]- 332.201984 180.5
[M+NH4]+ 351.243083 197.7
[M+K]+ 372.172418 174.6
[M+H-H2O]+ 316.206520 166.6
[M+HCOO]- 378.207461 187.2
[M+CH3COO]- 392.223111 185.7
[M+Na-2H]- 354.183926 182.6
[M]+ 333.20871142 177.8
[M]- 333.20980858 177.8
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