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

1
Patents

307.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 173.4
[M+Na]+ 330.18282 177.6
[M-H]- 306.18632 176.3
[M+NH4]+ 325.22742 195.0
[M+K]+ 346.15676 173.6
[M+H-H2O]+ 290.19086 163.7
[M+HCOO]- 352.19180 186.9
[M+CH3COO]- 366.20745 182.8
[M+Na-2H]- 328.16827 182.2
[M]+ 307.19305 177.5
[M]- 307.19415 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