CID 3075343

1,3-propanediamine, n'-(4,5-dimethoxy-1-nitro-9-acridinyl)-n,n-dimethyl-, n-oxide, dihydrochloride

Structural Information

Molecular Formula
C20H24N4O5
SMILES
CN(C)CCCN(C1=C2C=CC=C(C2=NC3=C(C=CC(=C31)[N+](=O)[O-])OC)OC)O
InChI
InChI=1S/C20H24N4O5/c1-22(2)11-6-12-23(25)20-13-7-5-8-15(28-3)18(13)21-19-16(29-4)10-9-14(17(19)20)24(26)27/h5,7-10,25H,6,11-12H2,1-4H3
InChIKey
HVIUSGAUFXRRIR-UHFFFAOYSA-N
Compound name
N-(4,5-dimethoxy-1-nitroacridin-9-yl)-N-[3-(dimethylamino)propyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17468 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18196 191.8
[M+Na]+ 423.16390 197.4
[M-H]- 399.16740 197.3
[M+NH4]+ 418.20850 202.6
[M+K]+ 439.13784 192.0
[M+H-H2O]+ 383.17194 186.2
[M+HCOO]- 445.17288 214.7
[M+CH3COO]- 459.18853 229.4
[M+Na-2H]- 421.14935 199.2
[M]+ 400.17413 198.4
[M]- 400.17523 198.4
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.