CID 368355

Nsc639212

Structural Information

Molecular Formula
C16H22N4O4
SMILES
CN(C)CCCNC1=C2C(=C(C=C(C2=NC=C1)OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H22N4O4/c1-19(2)9-5-7-17-11-6-8-18-15-12(23-3)10-13(24-4)16(14(11)15)20(21)22/h6,8,10H,5,7,9H2,1-4H3,(H,17,18)
InChIKey
KWQZQFOEUWECNJ-UHFFFAOYSA-N
Compound name
N-(6,8-dimethoxy-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1641 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17138 176.2
[M+Na]+ 357.15332 181.8
[M-H]- 333.15682 180.7
[M+NH4]+ 352.19792 189.1
[M+K]+ 373.12726 176.3
[M+H-H2O]+ 317.16136 171.7
[M+HCOO]- 379.16230 200.7
[M+CH3COO]- 393.17795 215.9
[M+Na-2H]- 355.13877 183.1
[M]+ 334.16355 180.5
[M]- 334.16465 180.5
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.