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]+ 298.17613 169.2
[M+Na]+ 320.15807 174.0
[M-H]- 296.16157 173.9
[M+NH4]+ 315.20267 184.0
[M+K]+ 336.13201 169.6
[M+H-H2O]+ 280.16611 165.8
[M+HCOO]- 342.16705 196.0
[M+CH3COO]- 356.18270 208.5
[M+Na-2H]- 318.14352 173.7
[M]+ 297.16830 173.2
[M]- 297.16940 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.