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]+ 303.108776 165.7
[M+Na]+ 325.090718 169.4
[M-H]- 301.094224 173.4
[M+NH4]+ 320.135323 178.0
[M+K]+ 341.064658 159.6
[M+H-H2O]+ 285.098760 165.6
[M+HCOO]- 347.099701 193.2
[M+CH3COO]- 361.115351 201.9
[M+Na-2H]- 323.076166 173.7
[M]+ 302.10095142 162.7
[M]- 302.10204858 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.