CID 45054895

2-methoxy-4-(2-nonanoylcarbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C24H29BrN2O4
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C24H29BrN2O4/c1-3-4-5-6-7-8-12-23(28)27-26-17-18-13-14-21(22(15-18)30-2)31-24(29)19-10-9-11-20(25)16-19/h9-11,13-17H,3-8,12H2,1-2H3,(H,27,28)/b26-17+
InChIKey
QYVGLSUZUXVWFC-YZSQISJMSA-N
Compound name
[2-methoxy-4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.13107 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13835 210.6
[M+Na]+ 511.12029 216.4
[M-H]- 487.12379 219.2
[M+NH4]+ 506.16489 221.5
[M+K]+ 527.09423 204.2
[M+H-H2O]+ 471.12833 205.5
[M+HCOO]- 533.12927 231.3
[M+CH3COO]- 547.14492 239.7
[M+Na-2H]- 509.10574 210.8
[M]+ 488.13052 234.4
[M]- 488.13162 234.4
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.