CID 9623363

4-(2-decanoylcarbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C25H31ClN2O4
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C25H31ClN2O4/c1-3-4-5-6-7-8-9-14-24(29)28-27-18-19-15-16-22(23(17-19)31-2)32-25(30)20-12-10-11-13-21(20)26/h10-13,15-18H,3-9,14H2,1-2H3,(H,28,29)/b27-18+
InChIKey
PDAGTBYBJRXEOV-OVVQPSECSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.19724 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20452 214.3
[M+Na]+ 481.18646 218.3
[M-H]- 457.18996 220.9
[M+NH4]+ 476.23106 223.7
[M+K]+ 497.16040 212.8
[M+H-H2O]+ 441.19450 204.6
[M+HCOO]- 503.19544 233.3
[M+CH3COO]- 517.21109 239.7
[M+Na-2H]- 479.17191 212.8
[M]+ 458.19669 223.2
[M]- 458.19779 223.2
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.