CID 9635964

4-bromo-2-(2-(((3-bromobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C23H17Br2N3O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H17Br2N3O4/c24-18-8-4-7-16(11-18)22(30)26-14-21(29)28-27-13-17-12-19(25)9-10-20(17)32-23(31)15-5-2-1-3-6-15/h1-13H,14H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
YFCCFQRLJURSCM-UVHMKAGCSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.95856 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.96584 200.2
[M+Na]+ 579.94778 204.5
[M-H]- 555.95128 210.6
[M+NH4]+ 574.99238 208.8
[M+K]+ 595.92172 189.3
[M+H-H2O]+ 539.95582 202.5
[M+HCOO]- 601.95676 216.1
[M+CH3COO]- 615.97241 244.8
[M+Na-2H]- 577.93323 202.1
[M]+ 556.95801 233.5
[M]- 556.95911 233.5
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.