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]+ 303.108776 166.6
[M+Na]+ 325.090718 172.9
[M-H]- 301.094224 173.1
[M+NH4]+ 320.135323 178.7
[M+K]+ 341.064658 161.2
[M+H-H2O]+ 285.098760 167.4
[M+HCOO]- 347.099701 192.3
[M+CH3COO]- 361.115351 200.7
[M+Na-2H]- 323.076166 171.6
[M]+ 302.10095142 161.9
[M]- 302.10204858 161.9
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