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 176.8
[M+Na]+ 344.19848 179.3
[M-H]- 320.20198 179.2
[M+NH4]+ 339.24308 195.7
[M+K]+ 360.17242 175.1
[M+H-H2O]+ 304.20652 167.3
[M+HCOO]- 366.20746 190.0
[M+CH3COO]- 380.22311 185.4
[M+Na-2H]- 342.18393 184.4
[M]+ 321.20871 180.9
[M]- 321.20981 180.9
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.