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 180.8
[M+Na]+ 414.04238 189.2
[M-H]- 390.04588 189.6
[M+NH4]+ 409.08698 195.0
[M+K]+ 430.01632 176.9
[M+H-H2O]+ 374.05042 176.6
[M+HCOO]- 436.05136 203.9
[M+CH3COO]- 450.06701 222.9
[M+Na-2H]- 412.02783 184.9
[M]+ 391.05261 200.3
[M]- 391.05371 200.3
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.