CID 9611034

N-(2-(2-(5-bromo-2-methoxybenzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C18H18BrN3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC
InChI
InChI=1S/C18H18BrN3O3/c1-12-5-3-4-6-15(12)18(24)20-11-17(23)22-21-10-13-9-14(19)7-8-16(13)25-2/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKey
NJAUEPMHRZSMFS-UFFVCSGVSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.05316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06044 184.1
[M+Na]+ 426.04238 185.6
[M+NH4]+ 421.08698 186.4
[M+K]+ 442.01632 185.2
[M-H]- 402.04588 186.6
[M+Na-2H]- 424.02783 187.5
[M]+ 403.05261 183.5
[M]- 403.05371 183.5
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.