CID 45054577

3-bromo-n-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H16BrN3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C20H16BrN3O2/c21-17-9-4-7-15(11-17)20(26)22-13-19(25)24-23-12-16-8-3-6-14-5-1-2-10-18(14)16/h1-12H,13H2,(H,22,26)(H,24,25)/b23-12+
InChIKey
NXGKPRQTKUZLNX-FSJBWODESA-N
Compound name
3-bromo-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0426 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.04988 186.5
[M+Na]+ 432.03182 193.6
[M-H]- 408.03532 196.4
[M+NH4]+ 427.07642 200.7
[M+K]+ 448.00576 181.0
[M+H-H2O]+ 392.03986 182.3
[M+HCOO]- 454.04080 208.8
[M+CH3COO]- 468.05645 226.3
[M+Na-2H]- 430.01727 192.9
[M]+ 409.04205 204.2
[M]- 409.04315 204.2
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.