CID 9633920

4-br-2-(2-(((4-fluorobenzoyl)amino)ac)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H23BrFN3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C26H23BrFN3O5/c1-2-13-35-22-10-5-18(6-11-22)26(34)36-23-12-7-20(27)14-19(23)15-30-31-24(32)16-29-25(33)17-3-8-21(28)9-4-17/h3-12,14-15H,2,13,16H2,1H3,(H,29,33)(H,31,32)/b30-15+
InChIKey
GIDBLNZIDXIQGM-FJEPWZHXSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.0805 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.08778 220.4
[M+Na]+ 578.06972 221.1
[M+NH4]+ 573.11432 220.5
[M+K]+ 594.04366 220.4
[M-H]- 554.07322 222.5
[M+Na-2H]- 576.05517 223.2
[M]+ 555.07995 219.5
[M]- 555.08105 219.5
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.