CID 5483796

Einecs 240-487-9

Structural Information

Molecular Formula
C20H16N6O5
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C20H16N6O5/c1-13(27)21-14-2-4-15(5-3-14)22-19-11-8-17(12-20(19)26(30)31)24-23-16-6-9-18(10-7-16)25(28)29/h2-12,22H,1H3,(H,21,27)
InChIKey
VWDGUPKIGZINGO-UHFFFAOYSA-N
Compound name
N-[4-[2-nitro-4-[(4-nitrophenyl)diazenyl]anilino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11823 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12551 192.4
[M+Na]+ 443.10745 193.4
[M-H]- 419.11095 203.5
[M+NH4]+ 438.15205 198.9
[M+K]+ 459.08139 182.8
[M+H-H2O]+ 403.11549 188.8
[M+HCOO]- 465.11643 222.0
[M+CH3COO]- 479.13208 227.5
[M+Na-2H]- 441.09290 201.5
[M]+ 420.11768 188.9
[M]- 420.11878 188.9
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.