CID 9623882

2-ethoxy-4-(2-(1-naphthoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C27H22N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H22N2O4/c1-2-32-25-17-19(15-16-24(25)33-27(31)21-10-4-3-5-11-21)18-28-29-26(30)23-14-8-12-20-9-6-7-13-22(20)23/h3-18H,2H2,1H3,(H,29,30)/b28-18+
InChIKey
SDEYELWKFKLQOS-MTDXEUNCSA-N
Compound name
[2-ethoxy-4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.15796 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 206.1
[M+Na]+ 461.14718 210.4
[M-H]- 437.15068 217.0
[M+NH4]+ 456.19178 215.1
[M+K]+ 477.12112 205.8
[M+H-H2O]+ 421.15522 194.1
[M+HCOO]- 483.15616 229.3
[M+CH3COO]- 497.17181 236.2
[M+Na-2H]- 459.13263 209.8
[M]+ 438.15741 208.8
[M]- 438.15851 208.8
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.