CID 9633820

N-(2-(2-(5-bromo-2-methoxybenzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C18H18BrN3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC
InChI
InChI=1S/C18H18BrN3O4/c1-25-15-6-3-12(4-7-15)18(24)20-11-17(23)22-21-10-13-9-14(19)5-8-16(13)26-2/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKey
WJQZWAPPEZUJDJ-UFFVCSGVSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.04807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.055346 186.4
[M+Na]+ 442.037288 193.8
[M-H]- 418.040794 196.0
[M+NH4]+ 437.081893 199.7
[M+K]+ 458.011228 182.7
[M+H-H2O]+ 402.045330 181.6
[M+HCOO]- 464.046271 210.0
[M+CH3COO]- 478.061921 228.2
[M+Na-2H]- 440.022736 190.2
[M]+ 419.04752142 207.6
[M]- 419.04861858 207.6
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.