CID 9669879

2-methoxy-4-(2-((2-naphthyloxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C27H22N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC3=CC=CC=C3C=C2)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H22N2O5/c1-32-25-15-19(11-14-24(25)34-27(31)21-8-3-2-4-9-21)17-28-29-26(30)18-33-23-13-12-20-7-5-6-10-22(20)16-23/h2-17H,18H2,1H3,(H,29,30)/b28-17+
InChIKey
DBBLMVPEYJCQAB-OGLMXYFKSA-N
Compound name
[2-methoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.15286 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.16014 208.5
[M+Na]+ 477.14208 212.5
[M-H]- 453.14558 219.3
[M+NH4]+ 472.18668 216.7
[M+K]+ 493.11602 208.8
[M+H-H2O]+ 437.15012 196.2
[M+HCOO]- 499.15106 231.8
[M+CH3COO]- 513.16671 238.4
[M+Na-2H]- 475.12753 212.4
[M]+ 454.15231 212.5
[M]- 454.15341 212.5
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.