CID 51060245

4-(2-nonanoylcarbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C23H27BrN2O3
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C23H27BrN2O3/c1-2-3-4-5-6-7-12-22(27)26-25-17-18-13-15-19(16-14-18)29-23(28)20-10-8-9-11-21(20)24/h8-11,13-17H,2-7,12H2,1H3,(H,26,27)/b25-17+
InChIKey
UZVCRDZLEVGGDQ-KOEQRZSOSA-N
Compound name
[4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1205 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12778 204.2
[M+Na]+ 481.10972 209.9
[M-H]- 457.11322 212.7
[M+NH4]+ 476.15432 216.2
[M+K]+ 497.08366 197.2
[M+H-H2O]+ 441.11776 199.4
[M+HCOO]- 503.11870 225.1
[M+CH3COO]- 517.13435 233.8
[M+Na-2H]- 479.09517 205.5
[M]+ 458.11995 226.0
[M]- 458.12105 226.1
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.