CID 29224

Acridine, 1,2,3,4,4a,9,9a,10-octahydro-10-dimethylaminopropyl-, (e)-, maleate

Structural Information

Molecular Formula
C18H28N2
SMILES
CN(C)CCCN1C2CCCCC2CC3=CC=CC=C31
InChI
InChI=1S/C18H28N2/c1-19(2)12-7-13-20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3,5,8,10,16,18H,4,6-7,9,11-14H2,1-2H3
InChIKey
OJIFMOCFFYDYQA-UHFFFAOYSA-N
Compound name
3-(2,3,4,4a,9,9a-hexahydro-1H-acridin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22525 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 167.1
[M+Na]+ 295.21447 170.2
[M-H]- 271.21797 170.2
[M+NH4]+ 290.25907 184.1
[M+K]+ 311.18841 166.4
[M+H-H2O]+ 255.22251 158.0
[M+HCOO]- 317.22345 182.5
[M+CH3COO]- 331.23910 208.0
[M+Na-2H]- 293.19992 170.8
[M]+ 272.22470 163.3
[M]- 272.22580 163.3
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.