CID 51060618

4-(2-(((3,4-dimethoxybenzoyl)amino)acetyl)carbohydrazonoyl)-2-methoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H24ClN3O7
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C26H24ClN3O7/c1-34-20-11-7-18(13-23(20)36-3)25(32)28-15-24(31)30-29-14-16-4-10-21(22(12-16)35-2)37-26(33)17-5-8-19(27)9-6-17/h4-14H,15H2,1-3H3,(H,28,32)(H,30,31)/b29-14+
InChIKey
ZTFCXJLZJBJLLB-IPPBACCNSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.13025 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.13753 222.6
[M+Na]+ 548.11947 227.2
[M-H]- 524.12297 233.5
[M+NH4]+ 543.16407 228.3
[M+K]+ 564.09341 224.8
[M+H-H2O]+ 508.12751 211.6
[M+HCOO]- 570.12845 243.2
[M+CH3COO]- 584.14410 252.9
[M+Na-2H]- 546.10492 222.1
[M]+ 525.12970 232.3
[M]- 525.13080 232.3
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.