CID 136503669

3-bromo-n-(2-(2-(2,4-dihydroxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H14BrN3O4
SMILES
C1=CC(=CC(=C1)Br)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H14BrN3O4/c17-12-3-1-2-10(6-12)16(24)18-9-15(23)20-19-8-11-4-5-13(21)7-14(11)22/h1-8,21-22H,9H2,(H,18,24)(H,20,23)/b19-8+
InChIKey
AAAAKWWLSGEURG-UFWORHAWSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.01678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.02406 178.0
[M+Na]+ 414.00600 185.2
[M-H]- 390.00950 185.3
[M+NH4]+ 409.05060 190.9
[M+K]+ 429.97994 173.0
[M+H-H2O]+ 374.01404 173.9
[M+HCOO]- 436.01498 199.3
[M+CH3COO]- 450.03063 218.5
[M+Na-2H]- 411.99145 181.8
[M]+ 391.01623 195.0
[M]- 391.01733 195.0
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.