CID 31656

Ethylamine, n,n-dimethyl-2-(2-methyl-9,10-ethanoanthracen-9(10h)-yloxy)-, hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1=CC2=C(C=C1)C3CCC2(C4=CC=CC=C34)OCCN(C)C
InChI
InChI=1S/C21H25NO/c1-15-8-9-18-16-10-11-21(20(18)14-15,23-13-12-22(2)3)19-7-5-4-6-17(16)19/h4-9,14,16H,10-13H2,1-3H3
InChIKey
QRLGMLWBKNTASR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(4-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 173.4
[M+Na]+ 330.182818 177.6
[M-H]- 306.186324 176.3
[M+NH4]+ 325.227423 195.0
[M+K]+ 346.156758 173.6
[M+H-H2O]+ 290.190860 163.7
[M+HCOO]- 352.191801 186.9
[M+CH3COO]- 366.207451 182.8
[M+Na-2H]- 328.168266 182.2
[M]+ 307.19305142 177.5
[M]- 307.19414858 177.5
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