CID 3044227

2,4'-dinitro-4,5-dimethoxydiphenylamine

Structural Information

Molecular Formula
C14H13N3O6
SMILES
COC1=C(C=C(C(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC
InChI
InChI=1S/C14H13N3O6/c1-22-13-7-11(12(17(20)21)8-14(13)23-2)15-9-3-5-10(6-4-9)16(18)19/h3-8,15H,1-2H3
InChIKey
XDFQAGHZWHXDPM-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-nitro-N-(4-nitrophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.08044 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08772 169.7
[M+Na]+ 342.06966 174.6
[M-H]- 318.07316 176.5
[M+NH4]+ 337.11426 181.2
[M+K]+ 358.04360 164.6
[M+H-H2O]+ 302.07770 169.7
[M+HCOO]- 364.07864 196.1
[M+CH3COO]- 378.09429 199.3
[M+Na-2H]- 340.05511 177.8
[M]+ 319.07989 169.2
[M]- 319.08099 169.2
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.