CID 9651416

2-methoxy-4-(2-(4-nitrobenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C22H17N3O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H17N3O6/c1-30-20-13-15(7-12-19(20)31-22(27)17-5-3-2-4-6-17)14-23-24-21(26)16-8-10-18(11-9-16)25(28)29/h2-14H,1H3,(H,24,26)/b23-14+
InChIKey
VNACDDNIWXEGEA-OEAKJJBVSA-N
Compound name
[2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.11172 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11900 196.8
[M+Na]+ 442.10094 199.6
[M-H]- 418.10444 207.2
[M+NH4]+ 437.14554 204.5
[M+K]+ 458.07488 193.0
[M+H-H2O]+ 402.10898 189.6
[M+HCOO]- 464.10992 222.8
[M+CH3COO]- 478.12557 224.6
[M+Na-2H]- 440.08639 201.6
[M]+ 419.11117 197.7
[M]- 419.11227 197.7
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.