CID 9661762

4-(2-((decanoylamino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H31Cl2N3O4
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C26H31Cl2N3O4/c1-2-3-4-5-6-7-8-9-24(32)29-18-25(33)31-30-17-19-10-13-21(14-11-19)35-26(34)22-15-12-20(27)16-23(22)28/h10-17H,2-9,18H2,1H3,(H,29,32)(H,31,33)/b30-17+
InChIKey
MBMMLXKMEPHIAD-OCSSWDANSA-N
Compound name
[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1692 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.17648 227.1
[M+Na]+ 542.15842 230.3
[M-H]- 518.16192 233.0
[M+NH4]+ 537.20302 234.3
[M+K]+ 558.13236 223.8
[M+H-H2O]+ 502.16646 218.2
[M+HCOO]- 564.16740 241.2
[M+CH3COO]- 578.18305 250.7
[M+Na-2H]- 540.14387 224.0
[M]+ 519.16865 235.9
[M]- 519.16975 235.9
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.