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]+ 420.118996 196.8
[M+Na]+ 442.100938 199.6
[M-H]- 418.104444 207.2
[M+NH4]+ 437.145543 204.5
[M+K]+ 458.074878 193.0
[M+H-H2O]+ 402.108980 189.6
[M+HCOO]- 464.109921 222.8
[M+CH3COO]- 478.125571 224.6
[M+Na-2H]- 440.086386 201.6
[M]+ 419.11117142 197.7
[M]- 419.11226858 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.