CID 45054437

N-(2-(2-(2-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=C2Br
InChI
InChI=1S/C17H16BrN3O3/c1-24-14-8-6-12(7-9-14)17(23)19-11-16(22)21-20-10-13-4-2-3-5-15(13)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
HPPKSRCNQDRWDC-KEBDBYFISA-N
Compound name
N-[2-[(2E)-2-[(2-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 179.9
[M+Na]+ 412.02672 187.1
[M-H]- 388.03022 189.4
[M+NH4]+ 407.07132 194.1
[M+K]+ 428.00066 175.5
[M+H-H2O]+ 372.03476 175.5
[M+HCOO]- 434.03570 203.7
[M+CH3COO]- 448.05135 222.1
[M+Na-2H]- 410.01217 184.7
[M]+ 389.03695 199.1
[M]- 389.03805 199.1
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.