CID 5219731

N,n-dimethyl-n'-(2,4-dinitrophenyl)-1,4-phenylenediamine

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CN(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O4/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(17(19)20)9-14(13)18(21)22/h3-9,15H,1-2H3
InChIKey
YWTOZWITTRYCTP-UHFFFAOYSA-N
Compound name
1-N-(2,4-dinitrophenyl)-4-N,4-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 169.6
[M+Na]+ 325.09072 182.9
[M+NH4]+ 320.13532 176.7
[M+K]+ 341.06466 181.7
[M-H]- 301.09422 177.3
[M+Na-2H]- 323.07617 177.2
[M]+ 302.10095 173.4
[M]- 302.10205 173.4
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.