CID 9638689

4-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C24H21BrN2O6
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC)OC
InChI
InChI=1S/C24H21BrN2O6/c1-30-19-10-8-16(13-22(19)32-3)23(28)27-26-14-15-7-9-20(21(11-15)31-2)33-24(29)17-5-4-6-18(25)12-17/h4-14H,1-3H3,(H,27,28)/b26-14+
InChIKey
CTZKHROGOXXEPY-VULFUBBASA-N
Compound name
[4-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.0583 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.06558 210.0
[M+Na]+ 535.04752 217.4
[M-H]- 511.05102 222.5
[M+NH4]+ 530.09212 219.5
[M+K]+ 551.02146 207.6
[M+H-H2O]+ 495.05556 204.2
[M+HCOO]- 557.05650 231.9
[M+CH3COO]- 571.07215 242.5
[M+Na-2H]- 533.03297 211.5
[M]+ 512.05775 234.4
[M]- 512.05885 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.