CID 9648371

4-{(e)-[2-(2-{2-[(cyclohexylamino)carbonyl]anilino}-2-oxoacetyl)hydrazono]methyl}phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C29H26Cl2N4O5
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C29H26Cl2N4O5/c30-19-12-15-22(24(31)16-19)29(39)40-21-13-10-18(11-14-21)17-32-35-28(38)27(37)34-25-9-5-4-8-23(25)26(36)33-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,33,36)(H,34,37)(H,35,38)/b32-17+
InChIKey
XGLGJSIVMCZQDD-VTNSRFBWSA-N
Compound name
[4-[(E)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.12805 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.13533 234.0
[M+Na]+ 603.11727 235.0
[M-H]- 579.12077 245.3
[M+NH4]+ 598.16187 237.0
[M+K]+ 619.09121 230.2
[M+H-H2O]+ 563.12531 223.4
[M+HCOO]- 625.12625 245.7
[M+CH3COO]- 639.14190 260.7
[M+Na-2H]- 601.10272 231.4
[M]+ 580.12750 235.2
[M]- 580.12860 235.2
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.