CID 9568181

7247-88-3

Structural Information

Molecular Formula
C16H12N6O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H12N6O6/c23-15(19-17-9-11-3-1-5-13(7-11)21(25)26)16(24)20-18-10-12-4-2-6-14(8-12)22(27)28/h1-10H,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKey
HRRIYVDFEDAVAJ-BEQMOXJMSA-N
Compound name
N,N'-bis[(E)-(3-nitrophenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08182 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08910 180.9
[M+Na]+ 407.07104 181.8
[M-H]- 383.07454 189.1
[M+NH4]+ 402.11564 189.1
[M+K]+ 423.04498 172.2
[M+H-H2O]+ 367.07908 178.8
[M+HCOO]- 429.08002 210.7
[M+CH3COO]- 443.09567 216.1
[M+Na-2H]- 405.05649 189.9
[M]+ 384.08127 177.0
[M]- 384.08237 177.0
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.