CID 1711812

Cbdive_003828

Structural Information

Molecular Formula
C14H10N4O5
SMILES
C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O5/c19-14(11-3-7-13(8-4-11)18(22)23)16-15-9-10-1-5-12(6-2-10)17(20)21/h1-9H,(H,16,19)
InChIKey
RHCJSSRUUPNHBF-UHFFFAOYSA-N
Compound name
4-nitro-N-[(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06512 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07240 167.4
[M+Na]+ 337.05434 170.6
[M-H]- 313.05784 174.8
[M+NH4]+ 332.09894 178.7
[M+K]+ 353.02828 160.2
[M+H-H2O]+ 297.06238 166.9
[M+HCOO]- 359.06332 195.4
[M+CH3COO]- 373.07897 199.5
[M+Na-2H]- 335.03979 176.2
[M]+ 314.06457 163.7
[M]- 314.06567 163.7
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.