CID 470832

Cgp 78833a

Structural Information

Molecular Formula
C23H33N5
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCN(CCCCN)CCCN
InChI
InChI=1S/C23H33N5/c24-13-5-6-16-28(17-7-14-25)18-8-15-26-23-19-9-1-3-11-21(19)27-22-12-4-2-10-20(22)23/h1-4,9-12H,5-8,13-18,24-25H2,(H,26,27)
InChIKey
OWKXUXOGCVQCIO-UHFFFAOYSA-N
Compound name
N'-[3-(acridin-9-ylamino)propyl]-N'-(3-aminopropyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.2736 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.28088 190.6
[M+Na]+ 402.26282 194.1
[M-H]- 378.26632 193.6
[M+NH4]+ 397.30742 202.1
[M+K]+ 418.23676 188.1
[M+H-H2O]+ 362.27086 180.1
[M+HCOO]- 424.27180 213.4
[M+CH3COO]- 438.28745 235.1
[M+Na-2H]- 400.24827 197.1
[M]+ 379.27305 192.1
[M]- 379.27415 192.1
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

No patent data available for this compound.