CID 9636835

4-br-2-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C29H22BrClN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H22BrClN2O5/c1-36-25-11-6-21(7-12-25)29(35)38-27-15-8-23(30)16-22(27)17-32-33-28(34)20-4-13-26(14-5-20)37-18-19-2-9-24(31)10-3-19/h2-17H,18H2,1H3,(H,33,34)/b32-17+
InChIKey
VUDAHHMVPCBJTJ-VTNSRFBWSA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.04004 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.04732 231.1
[M+Na]+ 615.02926 238.4
[M-H]- 591.03276 245.8
[M+NH4]+ 610.07386 237.9
[M+K]+ 631.00320 226.3
[M+H-H2O]+ 575.03730 225.1
[M+HCOO]- 637.03824 247.9
[M+CH3COO]- 651.05389 253.2
[M+Na-2H]- 613.01471 231.9
[M]+ 592.03949 255.6
[M]- 592.04059 255.6
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.