CID 9617875

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

Structural Information

Molecular Formula
C29H26N2O6
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C29H26N2O6/c1-19-8-12-22(13-9-19)36-18-28(32)31-30-17-24-23-7-5-4-6-20(23)10-14-25(24)37-29(33)21-11-15-26(34-2)27(16-21)35-3/h4-17H,18H2,1-3H3,(H,31,32)/b30-17+
InChIKey
HPSFYAYWROKFCV-OCSSWDANSA-N
Compound name
[1-[(E)-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.17908 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.18636 221.1
[M+Na]+ 521.16830 225.5
[M-H]- 497.17180 232.3
[M+NH4]+ 516.21290 227.8
[M+K]+ 537.14224 222.7
[M+H-H2O]+ 481.17634 208.4
[M+HCOO]- 543.17728 243.7
[M+CH3COO]- 557.19293 248.9
[M+Na-2H]- 519.15375 222.6
[M]+ 498.17853 227.9
[M]- 498.17963 227.9
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.