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]+ 333.192116 178.6
[M+Na]+ 355.174058 185.0
[M-H]- 331.177564 183.4
[M+NH4]+ 350.218663 192.1
[M+K]+ 371.147998 178.7
[M+H-H2O]+ 315.182100 174.4
[M+HCOO]- 377.183041 202.6
[M+CH3COO]- 391.198691 218.0
[M+Na-2H]- 353.159506 184.0
[M]+ 332.18429142 182.3
[M]- 332.18538858 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.