CID 9630455

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C28H29N3O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)CC
InChI
InChI=1S/C28H29N3O5/c1-3-5-18-35-24-16-10-22(11-17-24)28(34)36-25-14-8-21(9-15-25)19-29-31-27(33)26(32)30-23-12-6-20(4-2)7-13-23/h6-17,19H,3-5,18H2,1-2H3,(H,30,32)(H,31,33)/b29-19+
InChIKey
GFSVNPDPMWUHSL-VUTHCHCSSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.21072 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.21800 221.1
[M+Na]+ 510.19994 231.4
[M+NH4]+ 505.24454 224.8
[M+K]+ 526.17388 224.2
[M-H]- 486.20344 226.7
[M+Na-2H]- 508.18539 228.4
[M]+ 487.21017 223.7
[M]- 487.21127 223.7
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.