CID 41793

56223-91-7

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CCN(CC)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H18N4O4/c1-3-14(4-2)8-7-13-11-6-5-10(15(17)18)9-12(11)16(19)20/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKey
HGZRREOJHASMOE-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.1328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 176.8
[M+Na]+ 305.12202 181.9
[M+NH4]+ 300.16662 184.6
[M+K]+ 321.09596 190.0
[M-H]- 281.12552 171.5
[M+Na-2H]- 303.10747 173.0
[M]+ 282.13225 177.8
[M]- 282.13335 177.8
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

patents stripe