CID 547620

Dtxsid20971829

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CC1=NC2=C(C=C(C(=C2N=C1C)OC)NCCCN(C)C)OC
InChI
InChI=1S/C17H26N4O2/c1-11-12(2)20-16-15(19-11)14(22-5)10-13(17(16)23-6)18-8-7-9-21(3)4/h10,18H,7-9H2,1-6H3
InChIKey
LOXJXRLWVPZMAF-UHFFFAOYSA-N
Compound name
N-(5,8-dimethoxy-2,3-dimethylquinoxalin-6-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.20557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 179.3
[M+Na]+ 341.194788 187.4
[M-H]- 317.198294 182.8
[M+NH4]+ 336.239393 193.1
[M+K]+ 357.168728 185.0
[M+H-H2O]+ 301.202830 169.9
[M+HCOO]- 363.203771 201.2
[M+CH3COO]- 377.219421 221.5
[M+Na-2H]- 339.180236 183.0
[M]+ 318.20502142 186.4
[M]- 318.20611858 186.4
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.