CID 9649334

4-(2-((1-naphthyloxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H20N2O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H20N2O4/c29-25(18-31-24-12-6-10-20-7-4-5-11-23(20)24)28-27-17-19-13-15-22(16-14-19)32-26(30)21-8-2-1-3-9-21/h1-17H,18H2,(H,28,29)/b27-17+
InChIKey
BYNJDBZGXQFYDJ-WPWMEQJKSA-N
Compound name
[4-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1423 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14958 200.9
[M+Na]+ 447.13152 204.7
[M-H]- 423.13502 211.5
[M+NH4]+ 442.17612 210.1
[M+K]+ 463.10546 200.2
[M+H-H2O]+ 407.13956 188.9
[M+HCOO]- 469.14050 224.5
[M+CH3COO]- 483.15615 232.1
[M+Na-2H]- 445.11697 205.8
[M]+ 424.14175 202.8
[M]- 424.14285 202.8
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.