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

144
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 166.6
[M+Na]+ 325.09072 172.9
[M-H]- 301.09422 173.1
[M+NH4]+ 320.13532 178.7
[M+K]+ 341.06466 161.2
[M+H-H2O]+ 285.09876 167.4
[M+HCOO]- 347.09970 192.3
[M+CH3COO]- 361.11535 200.7
[M+Na-2H]- 323.07617 171.6
[M]+ 302.10095 161.9
[M]- 302.10205 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