CID 384258

Nsc673804

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CN(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C19H22N4O3/c1-22(2)10-4-9-20-19-15-7-5-13(23(24)25)11-18(15)21-17-8-6-14(26-3)12-16(17)19/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,21)
InChIKey
OVSWVIIGLLDHPD-UHFFFAOYSA-N
Compound name
N-(2-methoxy-6-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 181.1
[M+Na]+ 377.15842 187.3
[M-H]- 353.16192 186.4
[M+NH4]+ 372.20302 193.9
[M+K]+ 393.13236 179.9
[M+H-H2O]+ 337.16646 175.8
[M+HCOO]- 399.16740 205.2
[M+CH3COO]- 413.18305 220.2
[M+Na-2H]- 375.14387 190.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.