CID 459797

Chembl460881

Structural Information

Molecular Formula
C24H24ClN3O
SMILES
CCN(CC)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C24H24ClN3O/c1-4-28(5-2)18-9-7-17(8-10-18)26-24-20-12-6-16(25)14-23(20)27-22-13-11-19(29-3)15-21(22)24/h6-15H,4-5H2,1-3H3,(H,26,27)
InChIKey
LQHFYOHONIWKND-UHFFFAOYSA-N
Compound name
1-N-(6-chloro-2-methoxyacridin-9-yl)-4-N,4-N-diethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

405.1608 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16808 199.1
[M+Na]+ 428.15002 208.4
[M-H]- 404.15352 207.4
[M+NH4]+ 423.19462 211.7
[M+K]+ 444.12396 201.3
[M+H-H2O]+ 388.15806 188.5
[M+HCOO]- 450.15900 217.3
[M+CH3COO]- 464.17465 209.1
[M+Na-2H]- 426.13547 204.9
[M]+ 405.16025 206.4
[M]- 405.16135 206.4
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.