CID 9637596

4-(2-decanoylcarbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C24H29BrN2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C24H29BrN2O3/c1-2-3-4-5-6-7-8-13-23(28)27-26-18-19-14-16-20(17-15-19)30-24(29)21-11-9-10-12-22(21)25/h9-12,14-18H,2-8,13H2,1H3,(H,27,28)/b26-18+
InChIKey
FPKJKHOICOOKNT-NLRVBDNBSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13617 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14345 208.6
[M+Na]+ 495.12539 213.8
[M-H]- 471.12889 216.9
[M+NH4]+ 490.16999 220.0
[M+K]+ 511.09933 200.9
[M+H-H2O]+ 455.13343 203.6
[M+HCOO]- 517.13437 229.2
[M+CH3COO]- 531.15002 236.5
[M+Na-2H]- 493.11084 209.4
[M]+ 472.13562 230.8
[M]- 472.13672 230.8
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.