CID 3025191

4-((3-(diethylamino)propyl)amino)-6-nitroquinoline diphosphate

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CCN(CC)CCCNC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H22N4O2/c1-3-19(4-2)11-5-9-17-16-8-10-18-15-7-6-13(20(21)22)12-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,18)
InChIKey
MYQDJCLEMYSZRQ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 169.7
[M+Na]+ 325.16352 174.0
[M-H]- 301.16702 173.5
[M+NH4]+ 320.20812 183.6
[M+K]+ 341.13746 167.1
[M+H-H2O]+ 285.17156 165.2
[M+HCOO]- 347.17250 194.0
[M+CH3COO]- 361.18815 209.3
[M+Na-2H]- 323.14897 177.5
[M]+ 302.17375 170.6
[M]- 302.17485 170.6
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.