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]+ 341.16081 174.9
[M+Na]+ 363.14275 179.9
[M-H]- 339.14625 178.7
[M+NH4]+ 358.18735 186.9
[M+K]+ 379.11669 166.9
[M+H-H2O]+ 323.15079 174.9
[M+HCOO]- 385.15173 196.8
[M+CH3COO]- 399.16738 206.4
[M+Na-2H]- 361.12820 189.0
[M]+ 340.15298 173.8
[M]- 340.15408 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

literature stripe

Patent stripe

patents stripe