CID 9651096

4-(2-(((4-butoxybenzoyl)amino)acetyl)carbohydrazonoyl)-2-meo-ph 3-phenylacrylate

Structural Information

Molecular Formula
C30H31N3O6
SMILES
CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C30H31N3O6/c1-3-4-18-38-25-14-12-24(13-15-25)30(36)31-21-28(34)33-32-20-23-10-16-26(27(19-23)37-2)39-29(35)17-11-22-8-6-5-7-9-22/h5-17,19-20H,3-4,18,21H2,1-2H3,(H,31,36)(H,33,34)/b17-11+,32-20+
InChIKey
HDVUTEHKIABLCG-XBKQAUABSA-N
Compound name
[4-[(E)-[[2-[(4-butoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.2213 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.22858 230.0
[M+Na]+ 552.21052 230.7
[M-H]- 528.21402 239.3
[M+NH4]+ 547.25512 233.8
[M+K]+ 568.18446 227.3
[M+H-H2O]+ 512.21856 217.1
[M+HCOO]- 574.21950 253.4
[M+CH3COO]- 588.23515 254.9
[M+Na-2H]- 550.19597 229.0
[M]+ 529.22075 235.0
[M]- 529.22185 235.0
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.