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 220.4
[M+Na]+ 510.19994 222.1
[M-H]- 486.20344 230.2
[M+NH4]+ 505.24454 226.3
[M+K]+ 526.17388 218.8
[M+H-H2O]+ 470.20798 208.1
[M+HCOO]- 532.20892 244.3
[M+CH3COO]- 546.22457 247.6
[M+Na-2H]- 508.18539 220.1
[M]+ 487.21017 224.2
[M]- 487.21127 224.2
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.