CID 159883

Nitracrine n-oxide

Structural Information

Molecular Formula
C18H19N4O3
SMILES
CN(C)CCCN(C1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])[O-]
InChI
InChI=1S/C18H19N4O3/c1-20(2)11-6-12-21(23)18-13-7-3-4-8-14(13)19-15-9-5-10-16(17(15)18)22(24)25/h3-5,7-10H,6,11-12H2,1-2H3/q-1
InChIKey
CXJIYLZFQBJKOO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(1-nitroacridin-9-yl)-N'-oxidopropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

339.14572 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15300 177.1
[M+Na]+ 362.13494 190.8
[M+NH4]+ 357.17954 184.3
[M+K]+ 378.10888 187.0
[M-H]- 338.13844 182.3
[M+Na-2H]- 360.12039 183.1
[M]+ 339.14517 180.1
[M]- 339.14627 180.1
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.