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]+ 355.176476 181.1
[M+Na]+ 377.158418 187.3
[M-H]- 353.161924 186.4
[M+NH4]+ 372.203023 193.9
[M+K]+ 393.132358 179.9
[M+H-H2O]+ 337.166460 175.8
[M+HCOO]- 399.167401 205.2
[M+CH3COO]- 413.183051 220.2
[M+Na-2H]- 375.143866 190.3
[M]+ 354.16865142 185.0
[M]- 354.16974858 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.