CID 371873

Nsc646395

Structural Information

Molecular Formula
C18H20N4O3
SMILES
C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])[O-]
InChI
InChI=1S/C18H20N4O3/c1-22(2,25)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)21(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
InChIKey
BPLWOBZXURAQJT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(1-nitroacridin-9-yl)amino]propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

340.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.160806 174.9
[M+Na]+ 363.142748 179.9
[M-H]- 339.146254 178.7
[M+NH4]+ 358.187353 186.9
[M+K]+ 379.116688 166.9
[M+H-H2O]+ 323.150790 174.9
[M+HCOO]- 385.151731 196.8
[M+CH3COO]- 399.167381 206.4
[M+Na-2H]- 361.128196 189.0
[M]+ 340.15298142 173.8
[M]- 340.15407858 173.8
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.