CID 9675250

4-(2-((4-isopropylphenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-ph-acrylate

Structural Information

Molecular Formula
C28H28N2O5
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C28H28N2O5/c1-20(2)23-11-13-24(14-12-23)34-19-27(31)30-29-18-22-9-15-25(26(17-22)33-3)35-28(32)16-10-21-7-5-4-6-8-21/h4-18,20H,19H2,1-3H3,(H,30,31)/b16-10+,29-18+
InChIKey
IHGZFVNVHOFWIX-KQOTYMKHSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.19983 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.20711 217.4
[M+Na]+ 495.18905 219.9
[M-H]- 471.19255 227.2
[M+NH4]+ 490.23365 224.1
[M+K]+ 511.16299 216.3
[M+H-H2O]+ 455.19709 205.4
[M+HCOO]- 517.19803 240.2
[M+CH3COO]- 531.21368 242.9
[M+Na-2H]- 493.17450 216.3
[M]+ 472.19928 221.9
[M]- 472.20038 221.9
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.