CID 384252

Nsc673798

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CC(CN(C)C)NC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C19H22N4O3/c1-12(11-22(2)3)20-19-14-10-13(26-4)8-9-15(14)21-16-6-5-7-17(18(16)19)23(24)25/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKey
QYDPRQWGHLCCDO-UHFFFAOYSA-N
Compound name
2-N-(7-methoxy-1-nitroacridin-9-yl)-1-N,1-N-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 180.9
[M+Na]+ 377.15842 186.8
[M-H]- 353.16192 186.3
[M+NH4]+ 372.20302 193.6
[M+K]+ 393.13236 180.0
[M+H-H2O]+ 337.16646 175.8
[M+HCOO]- 399.16740 204.1
[M+CH3COO]- 413.18305 220.9
[M+Na-2H]- 375.14387 189.0
[M]+ 354.16865 184.3
[M]- 354.16975 184.3
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.