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

0
Patents

333.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 178.6
[M+Na]+ 356.19848 192.4
[M+NH4]+ 351.24308 191.9
[M+K]+ 372.17242 181.7
[M-H]- 332.20198 182.8
[M+Na-2H]- 354.18393 182.3
[M]+ 333.20871 182.2
[M]- 333.20981 182.2
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

No patent data available for this compound.