CID 51060162

4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H18BrN3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H18BrN3O4/c1-15-5-9-19(10-6-15)26-21(28)22(29)27-25-14-16-7-11-20(12-8-16)31-23(30)17-3-2-4-18(24)13-17/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
AKCHNSWOZZUMQB-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.04807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.05535 199.2
[M+Na]+ 502.03729 201.6
[M+NH4]+ 497.08189 201.1
[M+K]+ 518.01123 201.1
[M-H]- 478.04079 203.3
[M+Na-2H]- 500.02274 204.4
[M]+ 479.04752 199.3
[M]- 479.04862 199.3
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.