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]+ 311.150246 167.7
[M+Na]+ 333.132188 174.2
[M-H]- 309.135694 173.1
[M+NH4]+ 328.176793 182.2
[M+K]+ 349.106128 166.5
[M+H-H2O]+ 293.140230 162.9
[M+HCOO]- 355.141171 192.5
[M+CH3COO]- 369.156821 210.9
[M+Na-2H]- 331.117636 178.5
[M]+ 310.14242142 169.3
[M]- 310.14351858 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.