CID 9587887

Brn 2794451

Structural Information

Molecular Formula
C23H18N4O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H18N4O6/c1-15(28)25-19-9-7-17(8-10-19)22(29)26-24-14-16-5-11-21(12-6-16)33-23(30)18-3-2-4-20(13-18)27(31)32/h2-14H,1H3,(H,25,28)(H,26,29)/b24-14+
InChIKey
VVOPXYSOYSJDNY-ZVHZXABRSA-N
Compound name
[4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.12262 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12990 202.0
[M+Na]+ 469.11184 213.1
[M+NH4]+ 464.15644 205.9
[M+K]+ 485.08578 210.2
[M-H]- 445.11534 208.7
[M+Na-2H]- 467.09729 209.9
[M]+ 446.12207 204.9
[M]- 446.12317 204.9
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.