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
5
Annotation Hits

9
References

3598
Patents

294.2096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 173.1
[M+Na]+ 317.19882 180.5
[M-H]- 293.20232 178.0
[M+NH4]+ 312.24342 192.0
[M+K]+ 333.17276 176.0
[M+H-H2O]+ 277.20686 164.2
[M+HCOO]- 339.20780 192.2
[M+CH3COO]- 353.22345 213.5
[M+Na-2H]- 315.18427 179.1
[M]+ 294.20905 175.1
[M]- 294.21015 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.