CID 45054911

N-(2-(2-(3-bromobenzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C17H16BrN3O3
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C17H16BrN3O3/c1-24-15-7-5-13(6-8-15)17(23)19-11-16(22)21-20-10-12-3-2-4-14(18)9-12/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
DTALZKKNSBRXFJ-KEBDBYFISA-N
Compound name
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04478 179.8
[M+Na]+ 412.02672 181.2
[M+NH4]+ 407.07132 182.4
[M+K]+ 428.00066 180.9
[M-H]- 388.03022 182.4
[M+Na-2H]- 410.01217 183.7
[M]+ 389.03695 179.3
[M]- 389.03805 179.3
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.