CID 51060133

4-(2-((4-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-bromobenzoate

Structural Information

Molecular Formula
C23H18BrN3O5
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H18BrN3O5/c1-31-19-12-8-18(9-13-19)26-21(28)22(29)27-25-14-15-2-10-20(11-3-15)32-23(30)16-4-6-17(24)7-5-16/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
PGIQQAPKJYZWFF-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.04297 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.05025 202.1
[M+Na]+ 518.03219 204.1
[M+NH4]+ 513.07679 203.4
[M+K]+ 534.00613 204.0
[M-H]- 494.03569 205.8
[M+Na-2H]- 516.01764 206.9
[M]+ 495.04242 201.9
[M]- 495.04352 201.9
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.