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

literature stripe

Patent stripe

patents stripe