CID 9623321

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

Structural Information

Molecular Formula
C30H25BrN2O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C30H25BrN2O5/c1-20-3-5-21(6-4-20)19-37-27-14-7-22(8-15-27)29(34)33-32-18-24-17-25(31)11-16-28(24)38-30(35)23-9-12-26(36-2)13-10-23/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
InChIKey
MDRBMGWRKLBRDR-KCSSXMTESA-N
Compound name
[4-bromo-2-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.09467 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.10195 230.7
[M+Na]+ 595.08389 236.3
[M-H]- 571.08739 245.1
[M+NH4]+ 590.12849 237.0
[M+K]+ 611.05783 225.5
[M+H-H2O]+ 555.09193 223.6
[M+HCOO]- 617.09287 251.2
[M+CH3COO]- 631.10852 252.9
[M+Na-2H]- 593.06934 231.0
[M]+ 572.09412 252.6
[M]- 572.09522 252.6
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.