CID 3025191

102259-69-8

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]+ 303.181576 169.7
[M+Na]+ 325.163518 174.0
[M-H]- 301.167024 173.5
[M+NH4]+ 320.208123 183.6
[M+K]+ 341.137458 167.1
[M+H-H2O]+ 285.171560 165.2
[M+HCOO]- 347.172501 194.0
[M+CH3COO]- 361.188151 209.3
[M+Na-2H]- 323.148966 177.5
[M]+ 302.17375142 170.6
[M]- 302.17484858 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.