CID 9606931

4-(2-dodecanoylcarbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C27H35BrN2O4
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C27H35BrN2O4/c1-3-4-5-6-7-8-9-10-11-15-26(31)30-29-20-21-16-17-24(25(18-21)33-2)34-27(32)22-13-12-14-23(28)19-22/h12-14,16-20H,3-11,15H2,1-2H3,(H,30,31)/b29-20+
InChIKey
GLPZYYPDTYAQGV-ZTKZIYFRSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.17804 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.18532 223.8
[M+Na]+ 553.16726 228.2
[M-H]- 529.17076 231.7
[M+NH4]+ 548.21186 233.0
[M+K]+ 569.14120 215.5
[M+H-H2O]+ 513.17530 218.0
[M+HCOO]- 575.17624 243.4
[M+CH3COO]- 589.19189 247.8
[M+Na-2H]- 551.15271 222.5
[M]+ 530.17749 248.4
[M]- 530.17859 248.4
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.