CID 236030

N,n'-bis-(2-nitro-phenyl)-methanediamine

Structural Information

Molecular Formula
C13H12N4O4
SMILES
C1=CC=C(C(=C1)NCNC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O4/c18-16(19)12-7-3-1-5-10(12)14-9-15-11-6-2-4-8-13(11)17(20)21/h1-8,14-15H,9H2
InChIKey
DUXFILQCDRVMQG-UHFFFAOYSA-N
Compound name
N,N'-bis(2-nitrophenyl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.08585 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 159.6
[M+Na]+ 311.07507 162.7
[M-H]- 287.07857 165.7
[M+NH4]+ 306.11967 171.6
[M+K]+ 327.04901 151.7
[M+H-H2O]+ 271.08311 159.6
[M+HCOO]- 333.08405 187.0
[M+CH3COO]- 347.09970 194.6
[M+Na-2H]- 309.06052 169.6
[M]+ 288.08530 154.9
[M]- 288.08640 154.9
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

No patent data available for this compound.