CID 4189244

4,4'-diamino-3,3'-dimethyl-2,2'-dinitrobiphenyl

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CC1=CC(=C(C=C1N)[N+](=O)[O-])C2=C(C=C(C(=C2)C)N)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O4/c1-7-3-9(13(17(19)20)5-11(7)15)10-4-8(2)12(16)6-14(10)18(21)22/h3-6H,15-16H2,1-2H3
InChIKey
FDCDAEYGQTVYOH-UHFFFAOYSA-N
Compound name
4-(4-amino-5-methyl-2-nitrophenyl)-2-methyl-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

302.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 171.0
[M+Na]+ 325.09072 184.6
[M+NH4]+ 320.13532 177.5
[M+K]+ 341.06466 183.9
[M-H]- 301.09422 178.2
[M+Na-2H]- 323.07617 176.6
[M]+ 302.10095 174.6
[M]- 302.10205 174.6
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