CID 51060227

1-(2-((4-(benzyloxy)phenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C35H30N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=CC=C(C=C4)OCC5=CC=CC=C5)OC
InChI
InChI=1S/C35H30N2O7/c1-40-32-19-13-26(20-33(32)41-2)35(39)44-31-18-12-25-10-6-7-11-29(25)30(31)21-36-37-34(38)23-43-28-16-14-27(15-17-28)42-22-24-8-4-3-5-9-24/h3-21H,22-23H2,1-2H3,(H,37,38)/b36-21+
InChIKey
XJIZVUWGUKWGJI-QLQYKETESA-N
Compound name
[1-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2053 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.21258 243.4
[M+Na]+ 613.19452 245.3
[M-H]- 589.19802 256.3
[M+NH4]+ 608.23912 245.0
[M+K]+ 629.16846 242.5
[M+H-H2O]+ 573.20256 228.0
[M+HCOO]- 635.20350 264.5
[M+CH3COO]- 649.21915 263.9
[M+Na-2H]- 611.17997 244.4
[M]+ 590.20475 250.0
[M]- 590.20585 250.0
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.