CID 45055218

1-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H22N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(C4=CC=CC=C4)O
InChI
InChI=1S/C27H22N2O5/c1-33-21-14-11-20(12-15-21)27(32)34-24-16-13-18-7-5-6-10-22(18)23(24)17-28-29-26(31)25(30)19-8-3-2-4-9-19/h2-17,25,30H,1H3,(H,29,31)/b28-17+
InChIKey
OUSMHINDGBRQSB-OGLMXYFKSA-N
Compound name
[1-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.15286 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.16014 207.8
[M+Na]+ 477.14208 211.0
[M-H]- 453.14558 217.4
[M+NH4]+ 472.18668 215.2
[M+K]+ 493.11602 207.3
[M+H-H2O]+ 437.15012 196.2
[M+HCOO]- 499.15106 228.7
[M+CH3COO]- 513.16671 237.2
[M+Na-2H]- 475.12753 210.3
[M]+ 454.15231 209.6
[M]- 454.15341 209.6
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.