CID 9633889

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

Structural Information

Molecular Formula
C27H22N2O4
SMILES
CC1=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/C27H22N2O4/c1-18-11-13-21(14-12-18)27(32)33-24-16-15-19-7-5-6-10-22(19)23(24)17-28-29-26(31)25(30)20-8-3-2-4-9-20/h2-17,25,30H,1H3,(H,29,31)/b28-17+
InChIKey
WOVVEGCSZXTRGQ-OGLMXYFKSA-N
Compound name
[1-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.15796 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 205.4
[M+Na]+ 461.14718 208.9
[M-H]- 437.15068 215.0
[M+NH4]+ 456.19178 213.6
[M+K]+ 477.12112 204.3
[M+H-H2O]+ 421.15522 194.1
[M+HCOO]- 483.15616 226.2
[M+CH3COO]- 497.17181 235.0
[M+Na-2H]- 459.13263 207.7
[M]+ 438.15741 205.9
[M]- 438.15851 205.9
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.