CID 3014701

C 15 aminacrine

Structural Information

Molecular Formula
C20H24BrN3O
SMILES
CN(C)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Br)OC
InChI
InChI=1S/C20H24BrN3O/c1-24(2)11-5-4-10-22-20-16-8-6-14(21)12-19(16)23-18-9-7-15(25-3)13-17(18)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKey
USFIFQVGLMHWLG-UHFFFAOYSA-N
Compound name
N-(6-bromo-2-methoxyacridin-9-yl)-N',N'-dimethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

401.11026 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11754 186.8
[M+Na]+ 424.09948 191.8
[M+NH4]+ 419.14408 191.7
[M+K]+ 440.07342 188.8
[M-H]- 400.10298 189.9
[M+Na-2H]- 422.08493 190.3
[M]+ 401.10971 187.4
[M]- 401.11081 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.