CID 86261394

41377-68-8

Structural Information

Molecular Formula
C14H10N4O6
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6/c19-13-6-5-12(18(23)24)7-10(13)8-15-16-14(20)9-1-3-11(4-2-9)17(21)22/h1-8,19H,(H,16,20)/b15-8+
InChIKey
XAWKXFKDEYZNHQ-OVCLIPMQSA-N
Compound name
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

330.06003 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.067306 169.0
[M+Na]+ 353.049248 172.4
[M-H]- 329.052754 175.5
[M+NH4]+ 348.093853 179.2
[M+K]+ 369.023188 161.8
[M+H-H2O]+ 313.057290 168.7
[M+HCOO]- 375.058231 195.7
[M+CH3COO]- 389.073881 200.1
[M+Na-2H]- 351.034696 177.4
[M]+ 330.05948142 165.2
[M]- 330.06057858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe