CID 94280

Dimetacrine

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C
InChI
InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
RYQOGSFEJBUZBX-UHFFFAOYSA-N
Compound name
3-(9,9-dimethylacridin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

3630
Patents

294.2096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 173.1
[M+Na]+ 317.198818 180.5
[M-H]- 293.202324 178.0
[M+NH4]+ 312.243423 192.0
[M+K]+ 333.172758 176.0
[M+H-H2O]+ 277.206860 164.2
[M+HCOO]- 339.207801 192.2
[M+CH3COO]- 353.223451 213.5
[M+Na-2H]- 315.184266 179.1
[M]+ 294.20905142 175.1
[M]- 294.21014858 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe