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]+ 469.03935 199.3
[M+Na]+ 491.02129 206.7
[M-H]- 467.02479 210.7
[M+NH4]+ 486.06589 209.8
[M+K]+ 506.99523 195.6
[M+H-H2O]+ 451.02933 194.4
[M+HCOO]- 513.03027 220.5
[M+CH3COO]- 527.04592 231.8
[M+Na-2H]- 489.00674 202.0
[M]+ 468.03152 219.9
[M]- 468.03262 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.