CID 372707

Nsc648270

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CN(C)CCCNC1=C2C=CC(=CC2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-13-6-8-16-14-10-11(18(19)20)4-5-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)
InChIKey
UOSZAJRVPAXWQM-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(7-nitroquinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

274.14297 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 160.2
[M+Na]+ 297.13219 165.3
[M-H]- 273.13569 164.4
[M+NH4]+ 292.17679 175.2
[M+K]+ 313.10613 159.0
[M+H-H2O]+ 257.14023 156.1
[M+HCOO]- 319.14117 185.2
[M+CH3COO]- 333.15682 203.3
[M+Na-2H]- 295.11764 169.1
[M]+ 274.14242 160.4
[M]- 274.14352 160.4
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.