CID 202836

9,10-dihydro-9-(2-dimethylaminopropoxy)-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CC(COC1CC2C3=CC=CC=C3C1C4=CC=CC=C24)N(C)C
InChI
InChI=1S/C21H25NO/c1-14(22(2)3)13-23-20-12-19-15-8-4-6-10-17(15)21(20)18-11-7-5-9-16(18)19/h4-11,14,19-21H,12-13H2,1-3H3
InChIKey
WLXZJQCJPZVVJT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 172.8
[M+Na]+ 330.18282 175.4
[M-H]- 306.18632 175.4
[M+NH4]+ 325.22742 192.2
[M+K]+ 346.15676 172.0
[M+H-H2O]+ 290.19086 163.8
[M+HCOO]- 352.19180 185.3
[M+CH3COO]- 366.20745 181.7
[M+Na-2H]- 328.16827 179.8
[M]+ 307.19305 176.0
[M]- 307.19415 176.0
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.