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 174.0
[M+Na]+ 362.13494 178.9
[M-H]- 338.13844 178.8
[M+NH4]+ 357.17954 186.7
[M+K]+ 378.10888 173.0
[M+H-H2O]+ 322.14298 170.7
[M+HCOO]- 384.14392 197.9
[M+CH3COO]- 398.15957 216.6
[M+Na-2H]- 360.12039 182.7
[M]+ 339.14517 175.7
[M]- 339.14627 175.7
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.