CID 372711

Nsc648272

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CC1=C(C=CC2=C(C=CN=C12)NCCCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O2/c1-11-14(19(20)21)6-5-12-13(7-9-17-15(11)12)16-8-4-10-18(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
InChIKey
JTRVDVSWDCHNBZ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(8-methyl-7-nitroquinolin-4-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 289.16591 165.4
[M+Na]+ 311.14785 171.1
[M-H]- 287.15135 169.8
[M+NH4]+ 306.19245 180.2
[M+K]+ 327.12179 164.5
[M+H-H2O]+ 271.15589 161.4
[M+HCOO]- 333.15683 190.0
[M+CH3COO]- 347.17248 207.4
[M+Na-2H]- 309.13330 173.1
[M]+ 288.15808 166.3
[M]- 288.15918 166.3
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.