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]+ 321.23253 176.9
[M+Na]+ 343.21447 178.8
[M-H]- 319.21797 180.4
[M+NH4]+ 338.25907 196.2
[M+K]+ 359.18841 175.4
[M+H-H2O]+ 303.22251 167.2
[M+HCOO]- 365.22345 191.3
[M+CH3COO]- 379.23910 185.6
[M+Na-2H]- 341.19992 184.2
[M]+ 320.22470 180.2
[M]- 320.22580 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.