CID 9630423

2-ethoxy-4-(2-((1-naphthyloxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H26N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C29H26N2O6/c1-3-35-27-17-20(11-16-26(27)37-29(33)22-12-14-23(34-2)15-13-22)18-30-31-28(32)19-36-25-10-6-8-21-7-4-5-9-24(21)25/h4-18H,3,19H2,1-2H3,(H,31,32)/b30-18+
InChIKey
SZFFKFLBHQLCRT-UXHLAJHPSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
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 220.3
[M+Na]+ 521.16830 223.9
[M-H]- 497.17180 231.1
[M+NH4]+ 516.21290 226.7
[M+K]+ 537.14224 220.9
[M+H-H2O]+ 481.17634 207.5
[M+HCOO]- 543.17728 243.0
[M+CH3COO]- 557.19293 247.5
[M+Na-2H]- 519.15375 222.6
[M]+ 498.17853 226.7
[M]- 498.17963 226.7
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.