CID 368353

Nsc639211

Structural Information

Molecular Formula
C17H24N4O3
SMILES
CC1=C(C2=C(C=CC(=C2N=C1C)OC)[N+](=O)[O-])NCCCN(C)C
InChI
InChI=1S/C17H24N4O3/c1-11-12(2)19-17-14(24-5)8-7-13(21(22)23)15(17)16(11)18-9-6-10-20(3)4/h7-8H,6,9-10H2,1-5H3,(H,18,19)
InChIKey
YRMDCNNQBWEBFG-UHFFFAOYSA-N
Compound name
N-(8-methoxy-2,3-dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.18484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19212 178.6
[M+Na]+ 355.17406 185.0
[M-H]- 331.17756 183.4
[M+NH4]+ 350.21866 192.1
[M+K]+ 371.14800 178.7
[M+H-H2O]+ 315.18210 174.4
[M+HCOO]- 377.18304 202.6
[M+CH3COO]- 391.19869 218.0
[M+Na-2H]- 353.15951 184.0
[M]+ 332.18429 182.3
[M]- 332.18539 182.3
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.