CID 511166

Chembl537052

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCCN
InChI
InChI=1S/C20H24ClN3O/c1-25-15-7-9-18-17(13-15)20(23-11-5-3-2-4-10-22)16-8-6-14(21)12-19(16)24-18/h6-9,12-13H,2-5,10-11,22H2,1H3,(H,23,24)
InChIKey
CVWBTKHKVMYGBH-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.1608 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 185.2
[M+Na]+ 380.15002 194.2
[M-H]- 356.15352 188.4
[M+NH4]+ 375.19462 199.4
[M+K]+ 396.12396 186.5
[M+H-H2O]+ 340.15806 176.7
[M+HCOO]- 402.15900 202.6
[M+CH3COO]- 416.17465 221.4
[M+Na-2H]- 378.13547 191.3
[M]+ 357.16025 191.2
[M]- 357.16135 191.2
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.