CID 29264

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

Structural Information

Molecular Formula
C21H25NO
SMILES
CC12CCC(C3=CC=CC=C31)(C4=CC=CC=C24)OCCN(C)C
InChI
InChI=1S/C21H25NO/c1-20-12-13-21(23-15-14-22(2)3,18-10-6-4-8-16(18)20)19-11-7-5-9-17(19)20/h4-11H,12-15H2,1-3H3
InChIKey
WNOVOKXZGTWSRP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(8-methyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 173.5
[M+Na]+ 330.18282 178.2
[M-H]- 306.18632 176.5
[M+NH4]+ 325.22742 196.9
[M+K]+ 346.15676 174.1
[M+H-H2O]+ 290.19086 163.3
[M+HCOO]- 352.19180 187.1
[M+CH3COO]- 366.20745 183.1
[M+Na-2H]- 328.16827 183.8
[M]+ 307.19305 177.7
[M]- 307.19415 177.7
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