CID 167295

Nsc653559

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CN(C)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C17H18N4O2/c1-20(2)11-10-18-17-12-6-3-4-7-13(12)19-14-8-5-9-15(16(14)17)21(22)23/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKey
VFPXGZCZMBPZJD-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(1-nitroacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.14297 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 167.7
[M+Na]+ 333.13219 174.2
[M-H]- 309.13569 173.1
[M+NH4]+ 328.17679 182.2
[M+K]+ 349.10613 166.5
[M+H-H2O]+ 293.14023 162.9
[M+HCOO]- 355.14117 192.5
[M+CH3COO]- 369.15682 210.9
[M+Na-2H]- 331.11764 178.5
[M]+ 310.14242 169.3
[M]- 310.14352 169.3
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

No patent data available for this compound.