CID 9632189

2-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H18BrClN2O4
SMILES
C=CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H18BrClN2O4/c1-2-13-31-19-10-7-16(8-11-19)23(29)28-27-15-17-14-18(25)9-12-22(17)32-24(30)20-5-3-4-6-21(20)26/h2-12,14-15H,1,13H2,(H,28,29)/b27-15+
InChIKey
RGZJSRQNMSZJQU-JFLMPSFJSA-N
Compound name
[4-bromo-2-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.01385 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.02113 210.2
[M+Na]+ 535.00307 219.0
[M-H]- 511.00657 222.5
[M+NH4]+ 530.04767 220.9
[M+K]+ 550.97701 205.3
[M+H-H2O]+ 495.01111 205.9
[M+HCOO]- 557.01205 228.0
[M+CH3COO]- 571.02770 239.7
[M+Na-2H]- 532.98852 211.9
[M]+ 512.01330 233.7
[M]- 512.01440 233.7
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.