CID 9611483

765910-97-2

Structural Information

Molecular Formula
C22H14Br2ClN3O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C22H14Br2ClN3O4/c23-14-5-8-16(9-6-14)27-20(29)21(30)28-26-12-13-11-15(24)7-10-19(13)32-22(31)17-3-1-2-4-18(17)25/h1-12H,(H,27,29)(H,28,30)/b26-12+
InChIKey
QFRZAEGKIGMMLQ-RPPGKUMJSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.90393 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.91121 201.7
[M+Na]+ 599.89315 208.3
[M-H]- 575.89665 212.8
[M+NH4]+ 594.93775 211.0
[M+K]+ 615.86709 191.9
[M+H-H2O]+ 559.90119 205.0
[M+HCOO]- 621.90213 214.6
[M+CH3COO]- 635.91778 245.7
[M+Na-2H]- 597.87860 203.4
[M]+ 576.90338 237.2
[M]- 576.90448 237.2
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.