CID 368347

Nsc639207

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CN(C)CCCNC1=CC=NC2=C(C=CC(=C12)[N+](=O)[O-])OC
InChI
InChI=1S/C15H20N4O3/c1-18(2)10-4-8-16-11-7-9-17-15-13(22-3)6-5-12(14(11)15)19(20)21/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
InChIKey
QJSFFVIJJNVBNH-UHFFFAOYSA-N
Compound name
N-(8-methoxy-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.15353 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 168.3
[M+Na]+ 327.14275 173.7
[M-H]- 303.14625 172.7
[M+NH4]+ 322.18735 182.3
[M+K]+ 343.11669 167.8
[M+H-H2O]+ 287.15079 164.0
[M+HCOO]- 349.15173 193.1
[M+CH3COO]- 363.16738 209.5
[M+Na-2H]- 325.12820 176.1
[M]+ 304.15298 170.5
[M]- 304.15408 170.5
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.