CID 9595484

2-meo-4-(2-(((3,4,5-trimethoxybenzoyl)amino)ac)carbohydrazonoyl)ph 3-br-benzoate

Structural Information

Molecular Formula
C27H26BrN3O8
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C27H26BrN3O8/c1-35-21-10-16(8-9-20(21)39-27(34)17-6-5-7-19(28)11-17)14-30-31-24(32)15-29-26(33)18-12-22(36-2)25(38-4)23(13-18)37-3/h5-14H,15H2,1-4H3,(H,29,33)(H,31,32)/b30-14+
InChIKey
LMFUAWIQAYFCGO-AMVVHIIESA-N
Compound name
[2-methoxy-4-[(E)-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.09033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.09761 227.3
[M+Na]+ 622.07955 232.1
[M-H]- 598.08305 239.2
[M+NH4]+ 617.12415 232.6
[M+K]+ 638.05349 223.9
[M+H-H2O]+ 582.08759 219.7
[M+HCOO]- 644.08853 248.3
[M+CH3COO]- 658.10418 260.7
[M+Na-2H]- 620.06500 226.8
[M]+ 599.08978 253.1
[M]- 599.09088 253.1
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.