CID 9652675

4-(2-(4-hydroxybenzoyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C21H15BrN2O4
SMILES
C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H15BrN2O4/c22-17-3-1-2-16(12-17)21(27)28-19-10-4-14(5-11-19)13-23-24-20(26)15-6-8-18(25)9-7-15/h1-13,25H,(H,24,26)/b23-13+
InChIKey
FJXVVHHMBUJDTG-YDZHTSKRSA-N
Compound name
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0215 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02878 192.7
[M+Na]+ 461.01072 200.1
[M-H]- 437.01422 204.0
[M+NH4]+ 456.05532 204.3
[M+K]+ 476.98466 188.3
[M+H-H2O]+ 421.01876 188.3
[M+HCOO]- 483.01970 214.2
[M+CH3COO]- 497.03535 225.8
[M+Na-2H]- 458.99617 196.5
[M]+ 438.02095 211.4
[M]- 438.02205 211.4
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.