CID 9658651

4-br-2-(2-((4-isopropylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C26H25BrN2O5
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H25BrN2O5/c1-17(2)18-4-11-23(12-5-18)33-16-25(30)29-28-15-20-14-21(27)8-13-24(20)34-26(31)19-6-9-22(32-3)10-7-19/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
InChIKey
VVVYPANWIYUAHF-RWPZCVJISA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.09467 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.10195 217.1
[M+Na]+ 547.08389 222.9
[M-H]- 523.08739 229.0
[M+NH4]+ 542.12849 225.9
[M+K]+ 563.05783 212.4
[M+H-H2O]+ 507.09193 211.3
[M+HCOO]- 569.09287 237.3
[M+CH3COO]- 583.10852 245.4
[M+Na-2H]- 545.06934 217.0
[M]+ 524.09412 239.9
[M]- 524.09522 239.9
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.