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]+ 420.11900 196.3
[M+Na]+ 442.10094 198.2
[M-H]- 418.10444 206.3
[M+NH4]+ 437.14554 203.7
[M+K]+ 458.07488 191.5
[M+H-H2O]+ 402.10898 189.0
[M+HCOO]- 464.10992 222.4
[M+CH3COO]- 478.12557 223.4
[M+Na-2H]- 440.08639 201.8
[M]+ 419.11117 196.8
[M]- 419.11227 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.