CID 9630271

4-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C24H19BrN2O4
SMILES
C=CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C24H19BrN2O4/c1-2-15-30-19-13-9-18(10-14-19)23(28)27-26-16-17-7-11-20(12-8-17)31-24(29)21-5-3-4-6-22(21)25/h2-14,16H,1,15H2,(H,27,28)/b26-16+
InChIKey
JWCDGISLDRSWRV-WGOQTCKBSA-N
Compound name
[4-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.05283 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06011 204.7
[M+Na]+ 501.04205 211.5
[M-H]- 477.04555 216.7
[M+NH4]+ 496.08665 215.3
[M+K]+ 517.01599 199.4
[M+H-H2O]+ 461.05009 199.5
[M+HCOO]- 523.05103 226.7
[M+CH3COO]- 537.06668 235.4
[M+Na-2H]- 499.02750 207.3
[M]+ 478.05228 225.3
[M]- 478.05338 225.3
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.