CID 136806666

3-bromo-n-(2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C16H14BrN3O3/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChIKey
QLDWMKMEIFMPKZ-UHFFFAOYSA-N
Compound name
3-bromo-N-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02185 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02913 175.6
[M+Na]+ 398.01107 182.8
[M-H]- 374.01457 183.9
[M+NH4]+ 393.05567 189.7
[M+K]+ 413.98501 170.6
[M+H-H2O]+ 358.01911 171.6
[M+HCOO]- 420.02005 198.3
[M+CH3COO]- 434.03570 217.2
[M+Na-2H]- 395.99652 180.5
[M]+ 375.02130 192.7
[M]- 375.02240 192.7
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.