CID 9549197

N,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine

Structural Information

Molecular Formula
C31H36N4
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64
InChI
InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
InChIKey
NECDJQNRWSICKG-UHFFFAOYSA-N
Compound name
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

464.294 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.30128 208.3
[M+Na]+ 487.28322 210.7
[M-H]- 463.28672 212.4
[M+NH4]+ 482.32782 215.8
[M+K]+ 503.25716 200.8
[M+H-H2O]+ 447.29126 193.7
[M+HCOO]- 509.29220 219.7
[M+CH3COO]- 523.30785 213.0
[M+Na-2H]- 485.26867 214.7
[M]+ 464.29345 203.8
[M]- 464.29455 203.8
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.