CID 4372994

5085-07-4

Structural Information

Molecular Formula
C17H16N8O8
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CCCCC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C17H16N8O8/c26-22(27)12-4-6-14(16(10-12)24(30)31)20-18-8-2-1-3-9-19-21-15-7-5-13(23(28)29)11-17(15)25(32)33/h4-11,20-21H,1-3H2
InChIKey
QAUJHIMXYLFORD-UHFFFAOYSA-N
Compound name
N-[5-[(2,4-dinitrophenyl)hydrazinylidene]pentylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

460.1091 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.11638 200.1
[M+Na]+ 483.09832 203.4
[M+NH4]+ 478.14292 207.4
[M+K]+ 499.07226 212.1
[M-H]- 459.10182 197.4
[M+Na-2H]- 481.08377 195.5
[M]+ 460.10855 201.6
[M]- 460.10965 201.6
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

No patent data available for this compound.