CID 9646708

4-(2-((4-(benzyloxy)phenoxy)acetyl)carbohydrazonoyl)-2-meo-ph 3-bromobenzoate

Structural Information

Molecular Formula
C30H25BrN2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C30H25BrN2O6/c1-36-28-16-22(10-15-27(28)39-30(35)23-8-5-9-24(31)17-23)18-32-33-29(34)20-38-26-13-11-25(12-14-26)37-19-21-6-3-2-4-7-21/h2-18H,19-20H2,1H3,(H,33,34)/b32-18+
InChIKey
BACVWUVERPJLDW-KCSSXMTESA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.0896 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.09688 231.8
[M+Na]+ 611.07882 236.2
[M-H]- 587.08232 245.8
[M+NH4]+ 606.12342 237.1
[M+K]+ 627.05276 226.1
[M+H-H2O]+ 571.08686 224.3
[M+HCOO]- 633.08780 252.4
[M+CH3COO]- 647.10345 253.6
[M+Na-2H]- 609.06427 233.1
[M]+ 588.08905 254.4
[M]- 588.09015 254.4
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.