CID 203348

11-(3-(dimethylamino)-1-methylethoxy)methyl-9,10-dihydro-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
CC(CN(C)C)OCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C22H27NO/c1-15(13-23(2)3)24-14-16-12-21-17-8-4-6-10-19(17)22(16)20-11-7-5-9-18(20)21/h4-11,15-16,21-22H,12-14H2,1-3H3
InChIKey
BEPXCNDPEWYPCG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(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

1
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 177.6
[M+Na]+ 344.198478 179.7
[M-H]- 320.201984 179.9
[M+NH4]+ 339.243083 196.4
[M+K]+ 360.172418 176.0
[M+H-H2O]+ 304.206520 168.3
[M+HCOO]- 366.207461 189.7
[M+CH3COO]- 380.223111 186.0
[M+Na-2H]- 342.183926 183.9
[M]+ 321.20871142 181.1
[M]- 321.20980858 181.1
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

patents stripe