CID 42875

58903-52-9

Structural Information

Molecular Formula
C32H30N4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64
InChI
InChI=1S/C32H30N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3-10,13-20H,1-2,11-12,21-22H2,(H,33,35)(H,34,36)
InChIKey
FZSBSJDISGQMLW-UHFFFAOYSA-N
Compound name
N,N'-di(acridin-9-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

470.24704 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.25432 213.0
[M+Na]+ 493.23626 219.7
[M-H]- 469.23976 218.9
[M+NH4]+ 488.28086 220.5
[M+K]+ 509.21020 208.9
[M+H-H2O]+ 453.24430 198.5
[M+HCOO]- 515.24524 230.7
[M+CH3COO]- 529.26089 219.5
[M+Na-2H]- 491.22171 223.6
[M]+ 470.24649 215.5
[M]- 470.24759 215.5
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