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]+ 401.181956 191.8
[M+Na]+ 423.163898 197.4
[M-H]- 399.167404 197.3
[M+NH4]+ 418.208503 202.6
[M+K]+ 439.137838 192.0
[M+H-H2O]+ 383.171940 186.2
[M+HCOO]- 445.172881 214.7
[M+CH3COO]- 459.188531 229.4
[M+Na-2H]- 421.149346 199.2
[M]+ 400.17413142 198.4
[M]- 400.17522858 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.