CID 9669045

3-(2-(((3-chlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H20ClN3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C24H20ClN3O5/c1-32-20-10-8-17(9-11-20)24(31)33-21-7-2-4-16(12-21)14-27-28-22(29)15-26-23(30)18-5-3-6-19(25)13-18/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
RWHYMPIWSFGUNI-MZJWZYIUSA-N
Compound name
[3-[(E)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.10916 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.11644 209.4
[M+Na]+ 488.09838 213.7
[M-H]- 464.10188 219.8
[M+NH4]+ 483.14298 217.2
[M+K]+ 504.07232 209.6
[M+H-H2O]+ 448.10642 198.8
[M+HCOO]- 510.10736 230.3
[M+CH3COO]- 524.12301 240.0
[M+Na-2H]- 486.08383 210.7
[M]+ 465.10861 214.8
[M]- 465.10971 214.8
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.