CID 9648371

477729-80-9

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]+ 581.135326 234.0
[M+Na]+ 603.117268 235.0
[M-H]- 579.120774 245.3
[M+NH4]+ 598.161873 237.0
[M+K]+ 619.091208 230.2
[M+H-H2O]+ 563.125310 223.4
[M+HCOO]- 625.126251 245.7
[M+CH3COO]- 639.141901 260.7
[M+Na-2H]- 601.102716 231.4
[M]+ 580.12750142 235.2
[M]- 580.12859858 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.