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 177.5
[M+Na]+ 356.19848 181.1
[M-H]- 332.20198 180.5
[M+NH4]+ 351.24308 197.7
[M+K]+ 372.17242 174.6
[M+H-H2O]+ 316.20652 166.6
[M+HCOO]- 378.20746 187.2
[M+CH3COO]- 392.22311 185.7
[M+Na-2H]- 354.18393 182.6
[M]+ 333.20871 177.8
[M]- 333.20981 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