CID 45055022

4-bromo-2-(2-(2-bromobenzoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C23H18Br2N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C23H18Br2N2O4/c1-2-30-18-10-7-15(8-11-18)23(29)31-21-12-9-17(24)13-16(21)14-26-27-22(28)19-5-3-4-6-20(19)25/h3-14H,2H2,1H3,(H,27,28)/b26-14+
InChIKey
MWNMSXZMXOWVKM-VULFUBBASA-N
Compound name
[4-bromo-2-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.9633 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.97058 198.2
[M+Na]+ 566.95252 204.2
[M-H]- 542.95602 209.2
[M+NH4]+ 561.99712 208.1
[M+K]+ 582.92646 189.3
[M+H-H2O]+ 526.96056 201.4
[M+HCOO]- 588.96150 214.2
[M+CH3COO]- 602.97715 242.1
[M+Na-2H]- 564.93797 200.1
[M]+ 543.96275 233.7
[M]- 543.96385 233.7
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.