CID 9639108

2-methoxy-4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C26H23N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H23N3O5/c1-18-8-12-21(13-9-18)28-25(31)26(32)29-27-17-20-10-14-22(23(16-20)33-2)34-24(30)15-11-19-6-4-3-5-7-19/h3-17H,1-2H3,(H,28,31)(H,29,32)/b15-11+,27-17+
InChIKey
VDBVOBYHJFZQBT-VCQIIKIXSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.16376 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17104 211.1
[M+Na]+ 480.15298 214.1
[M-H]- 456.15648 221.3
[M+NH4]+ 475.19758 218.2
[M+K]+ 496.12692 210.5
[M+H-H2O]+ 440.16102 199.3
[M+HCOO]- 502.16196 235.8
[M+CH3COO]- 516.17761 240.6
[M+Na-2H]- 478.13843 211.8
[M]+ 457.16321 213.5
[M]- 457.16431 213.5
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.