CID 9687921

N'-(3-bromo-5-hydroxy-4-methoxybenzylidene)-2-(3-toluidino)acetohydrazide

Structural Information

Molecular Formula
C17H18BrN3O3
SMILES
CC1=CC(=CC=C1)NCC(=O)N/N=C/C2=CC(=C(C(=C2)Br)OC)O
InChI
InChI=1S/C17H18BrN3O3/c1-11-4-3-5-13(6-11)19-10-16(23)21-20-9-12-7-14(18)17(24-2)15(22)8-12/h3-9,19,22H,10H2,1-2H3,(H,21,23)/b20-9+
InChIKey
SLHQITIHWCYPAD-AWQFTUOYSA-N
Compound name
N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.05316 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06044 183.2
[M+Na]+ 414.04238 185.0
[M+NH4]+ 409.08698 185.7
[M+K]+ 430.01632 184.5
[M-H]- 390.04588 185.8
[M+Na-2H]- 412.02783 186.4
[M]+ 391.05261 182.8
[M]- 391.05371 182.8
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.