CID 135842391

3-bromo-n-(2-(2-((2-hydroxy-1-naphthyl)methylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H16BrN3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br)O
InChI
InChI=1S/C20H16BrN3O3/c21-15-6-3-5-14(10-15)20(27)22-12-19(26)24-23-11-17-16-7-2-1-4-13(16)8-9-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+
InChIKey
IYQGJVYDMKZGRU-FOKLQQMPSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.0375 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.04478 189.0
[M+Na]+ 448.02672 196.2
[M-H]- 424.03022 198.0
[M+NH4]+ 443.07132 202.1
[M+K]+ 464.00066 183.6
[M+H-H2O]+ 408.03476 184.8
[M+HCOO]- 470.03570 210.0
[M+CH3COO]- 484.05135 227.5
[M+Na-2H]- 446.01217 194.4
[M]+ 425.03695 206.6
[M]- 425.03805 206.6
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.