CID 51060745

4-(2-(((4-propoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H24ClN3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H24ClN3O5/c1-2-15-34-22-13-7-19(8-14-22)25(32)28-17-24(31)30-29-16-18-3-11-23(12-4-18)35-26(33)20-5-9-21(27)10-6-20/h3-14,16H,2,15,17H2,1H3,(H,28,32)(H,30,31)/b29-16+
InChIKey
KQXJUPKIONCUNV-MUFRIFMGSA-N
Compound name
[4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14044 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.14772 218.1
[M+Na]+ 516.12966 221.5
[M-H]- 492.13316 228.2
[M+NH4]+ 511.17426 224.8
[M+K]+ 532.10360 217.0
[M+H-H2O]+ 476.13770 207.1
[M+HCOO]- 538.13864 238.3
[M+CH3COO]- 552.15429 245.7
[M+Na-2H]- 514.11511 218.5
[M]+ 493.13989 224.2
[M]- 493.14099 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.