CID 9638115

1-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H22N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=C(C=C(C=C4)O)O)OC
InChI
InChI=1S/C27H22N2O7/c1-34-24-12-8-17(13-25(24)35-2)27(33)36-23-11-7-16-5-3-4-6-19(16)21(23)15-28-29-26(32)20-10-9-18(30)14-22(20)31/h3-15,30-31H,1-2H3,(H,29,32)/b28-15+
InChIKey
YHOZMOOGCNLZGJ-RWPZCVJISA-N
Compound name
[1-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1427 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14998 214.0
[M+Na]+ 509.13192 219.0
[M-H]- 485.13542 223.3
[M+NH4]+ 504.17652 220.1
[M+K]+ 525.10586 216.3
[M+H-H2O]+ 469.13996 202.4
[M+HCOO]- 531.14090 234.5
[M+CH3COO]- 545.15655 243.0
[M+Na-2H]- 507.11737 215.5
[M]+ 486.14215 218.7
[M]- 486.14325 218.7
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.