CID 9659115

4-(2-((4-nitrophenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C22H17N3O6
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H17N3O6/c26-21(15-30-19-12-8-18(9-13-19)25(28)29)24-23-14-16-6-10-20(11-7-16)31-22(27)17-4-2-1-3-5-17/h1-14H,15H2,(H,24,26)/b23-14+
InChIKey
GXOHPHRZWNIFHS-OEAKJJBVSA-N
Compound name
[4-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.11172 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.118996 196.3
[M+Na]+ 442.100938 198.2
[M-H]- 418.104444 206.3
[M+NH4]+ 437.145543 203.7
[M+K]+ 458.074878 191.5
[M+H-H2O]+ 402.108980 189.0
[M+HCOO]- 464.109921 222.4
[M+CH3COO]- 478.125571 223.4
[M+Na-2H]- 440.086386 201.8
[M]+ 419.11117142 196.8
[M]- 419.11226858 196.8
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.