CID 9633821

4-(2-(((3-chlorobenzoyl)amino)ac)carbohydrazonoyl)-2-meo-ph 4-propoxybenzoate

Structural Information

Molecular Formula
C27H26ClN3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C27H26ClN3O6/c1-3-13-36-22-10-8-19(9-11-22)27(34)37-23-12-7-18(14-24(23)35-2)16-30-31-25(32)17-29-26(33)20-5-4-6-21(28)15-20/h4-12,14-16H,3,13,17H2,1-2H3,(H,29,33)(H,31,32)/b30-16+
InChIKey
GHTUMRUHNZUKEB-OKCVXOCRSA-N
Compound name
[4-[(E)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.15828 224.8
[M+Na]+ 546.14022 228.4
[M-H]- 522.14372 235.1
[M+NH4]+ 541.18482 230.4
[M+K]+ 562.11416 224.7
[M+H-H2O]+ 506.14826 213.6
[M+HCOO]- 568.14920 244.9
[M+CH3COO]- 582.16485 252.1
[M+Na-2H]- 544.12567 224.2
[M]+ 523.15045 233.0
[M]- 523.15155 233.0
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.