CID 202832

9,10-dihydro-11-(3-(dimethylamino)propoxy)methyl-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
CN(C)CCCOCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C22H27NO/c1-23(2)12-7-13-24-15-16-14-21-17-8-3-5-10-19(17)22(16)20-11-6-4-9-18(20)21/h3-6,8-11,16,21-22H,7,12-15H2,1-2H3
InChIKey
UDIHPMUJECQEQD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 173.7
[M+Na]+ 344.19848 187.5
[M+NH4]+ 339.24308 185.5
[M+K]+ 360.17242 177.0
[M-H]- 320.20198 177.8
[M+Na-2H]- 342.18393 176.6
[M]+ 321.20871 177.1
[M]- 321.20981 177.1
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.