CID 3025187

4-((2-(diethylamino)ethyl)amino)-6-nitroquinoline diphosphate

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCN(CC)CCNC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O2/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKey
VSABBYVDWUCJNM-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.15863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 165.0
[M+Na]+ 311.147848 169.7
[M-H]- 287.151354 168.9
[M+NH4]+ 306.192453 179.4
[M+K]+ 327.121788 163.1
[M+H-H2O]+ 271.155890 160.7
[M+HCOO]- 333.156831 189.6
[M+CH3COO]- 347.172481 206.3
[M+Na-2H]- 309.133296 173.3
[M]+ 288.15808142 165.5
[M]- 288.15917858 165.5
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.