CID 9610405

4-bromo-2-(2-(4-hydroxybenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C22H17BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C22H17BrN2O5/c1-29-19-9-4-15(5-10-19)22(28)30-20-11-6-17(23)12-16(20)13-24-25-21(27)14-2-7-18(26)8-3-14/h2-13,26H,1H3,(H,25,27)/b24-13+
InChIKey
DLWFLLBWPWMQJO-ZMOGYAJESA-N
Compound name
[4-bromo-2-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.03207 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.039346 199.3
[M+Na]+ 491.021288 206.7
[M-H]- 467.024794 210.7
[M+NH4]+ 486.065893 209.8
[M+K]+ 506.995228 195.6
[M+H-H2O]+ 451.029330 194.4
[M+HCOO]- 513.030271 220.5
[M+CH3COO]- 527.045921 231.8
[M+Na-2H]- 489.006736 202.0
[M]+ 468.03152142 219.9
[M]- 468.03261858 219.9
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.