CID 9669050

4-bromo-2-(2-(((4-propoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H24BrN3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H24BrN3O5/c1-2-14-34-22-11-8-18(9-12-22)25(32)28-17-24(31)30-29-16-20-15-21(27)10-13-23(20)35-26(33)19-6-4-3-5-7-19/h3-13,15-16H,2,14,17H2,1H3,(H,28,32)(H,30,31)/b29-16+
InChIKey
OOOOOLAIVWTIHF-MUFRIFMGSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.0899 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.09718 217.9
[M+Na]+ 560.07912 222.1
[M-H]- 536.08262 229.2
[M+NH4]+ 555.12372 225.4
[M+K]+ 576.05306 211.0
[M+H-H2O]+ 520.08716 211.3
[M+HCOO]- 582.08810 239.2
[M+CH3COO]- 596.10375 248.0
[M+Na-2H]- 558.06457 219.2
[M]+ 537.08935 238.8
[M]- 537.09045 238.8
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.