CID 51060230

4-(2-(2-(1-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C29H26N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C29H26N2O5/c1-3-34-24-17-13-23(14-18-24)29(33)36-25-15-11-21(12-16-25)19-30-31-28(32)20(2)35-27-10-6-8-22-7-4-5-9-26(22)27/h4-20H,3H2,1-2H3,(H,31,32)/b30-19+
InChIKey
YDJNAUCLPOLEJL-NDZAJKAJSA-N
Compound name
[4-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.18417 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19145 217.4
[M+Na]+ 505.17339 220.1
[M-H]- 481.17689 227.9
[M+NH4]+ 500.21799 224.3
[M+K]+ 521.14733 216.7
[M+H-H2O]+ 465.18143 205.0
[M+HCOO]- 527.18237 239.0
[M+CH3COO]- 541.19802 244.9
[M+Na-2H]- 503.15884 219.2
[M]+ 482.18362 221.5
[M]- 482.18472 221.5
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.