CID 45055138

2-ethoxy-4-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C30H28N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C30H28N2O6/c1-4-36-28-17-21(9-16-27(28)38-30(34)23-11-13-25(35-3)14-12-23)19-31-32-29(33)20(2)37-26-15-10-22-7-5-6-8-24(22)18-26/h5-20H,4H2,1-3H3,(H,32,33)/b31-19+
InChIKey
BAYOANJGPRJBOO-ZCTHSVRISA-N
Compound name
[2-ethoxy-4-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.19476 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20204 224.7
[M+Na]+ 535.18398 227.4
[M-H]- 511.18748 235.3
[M+NH4]+ 530.22858 230.4
[M+K]+ 551.15792 225.0
[M+H-H2O]+ 495.19202 211.9
[M+HCOO]- 557.19296 246.0
[M+CH3COO]- 571.20861 251.3
[M+Na-2H]- 533.16943 225.4
[M]+ 512.19421 230.9
[M]- 512.19531 230.9
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.