CID 154886

4-methoxynitracrine

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CN(C)CCCNC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O3/c1-22(2)12-6-11-20-18-13-7-4-5-8-14(13)21-19-16(26-3)10-9-15(17(18)19)23(24)25/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,21)
InChIKey
FECAGPZNMVGWPG-UHFFFAOYSA-N
Compound name
N-(4-methoxy-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 181.4
[M+Na]+ 377.15842 195.9
[M+NH4]+ 372.20302 189.1
[M+K]+ 393.13236 190.5
[M-H]- 353.16192 187.1
[M+Na-2H]- 375.14387 187.9
[M]+ 354.16865 185.0
[M]- 354.16975 185.0
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.