CID 98870

Brn 3063407

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCN(CC)CCNC1=CC(=C(C=C1[N+](=O)[O-])OC)OC
InChI
InChI=1S/C14H23N3O4/c1-5-16(6-2)8-7-15-11-9-13(20-3)14(21-4)10-12(11)17(18)19/h9-10,15H,5-8H2,1-4H3
InChIKey
NLXRFJIVNUJGCD-UHFFFAOYSA-N
Compound name
N-(4,5-dimethoxy-2-nitrophenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.16885 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.176126 169.2
[M+Na]+ 320.158068 174.0
[M-H]- 296.161574 173.9
[M+NH4]+ 315.202673 184.0
[M+K]+ 336.132008 169.6
[M+H-H2O]+ 280.166110 165.8
[M+HCOO]- 342.167051 196.0
[M+CH3COO]- 356.182701 208.5
[M+Na-2H]- 318.143516 173.7
[M]+ 297.16830142 173.2
[M]- 297.16939858 173.2
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.