CID 203583

9,10-dihydro-11-((n-(2-dimethylaminoethyl)-n-methyl)amino)methyl-9,10-ethanoanthracene hcl

Structural Information

Molecular Formula
C22H28N2
SMILES
CN(C)CCN(C)CC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C22H28N2/c1-23(2)12-13-24(3)15-16-14-21-17-8-4-6-10-19(17)22(16)20-11-7-5-9-18(20)21/h4-11,16,21-22H,12-15H2,1-3H3
InChIKey
CPZOWIZQZYRLQD-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22525 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.232526 176.9
[M+Na]+ 343.214468 178.8
[M-H]- 319.217974 180.4
[M+NH4]+ 338.259073 196.2
[M+K]+ 359.188408 175.4
[M+H-H2O]+ 303.222510 167.2
[M+HCOO]- 365.223451 191.3
[M+CH3COO]- 379.239101 185.6
[M+Na-2H]- 341.199916 184.2
[M]+ 320.22470142 180.2
[M]- 320.22579858 180.2
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.