CID 9632474

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

Structural Information

Molecular Formula
C25H21N3O4
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
InChI
InChI=1S/C25H21N3O4/c1-18-7-12-21(13-8-18)27-24(30)25(31)28-26-17-20-9-14-22(15-10-20)32-23(29)16-11-19-5-3-2-4-6-19/h2-17H,1H3,(H,27,30)(H,28,31)/b16-11+,26-17+
InChIKey
YVIFXVWJAZOASO-YVYJZWDNSA-N
Compound name
[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

427.1532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16048 204.3
[M+Na]+ 450.14242 215.5
[M+NH4]+ 445.18702 209.0
[M+K]+ 466.11636 208.2
[M-H]- 426.14592 210.3
[M+Na-2H]- 448.12787 213.0
[M]+ 427.15265 207.2
[M]- 427.15375 207.2
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.