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 165.7
[M+Na]+ 325.09072 169.4
[M-H]- 301.09422 173.4
[M+NH4]+ 320.13532 178.0
[M+K]+ 341.06466 159.6
[M+H-H2O]+ 285.09876 165.6
[M+HCOO]- 347.09970 193.2
[M+CH3COO]- 361.11535 201.9
[M+Na-2H]- 323.07617 173.7
[M]+ 302.10095 162.7
[M]- 302.10205 162.7
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.