CID 9630725

N-(2-(2-(2-bromobenzylidene)hydrazino)-2-oxoethyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C18H18BrN3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2Br
InChI
InChI=1S/C18H18BrN3O3/c1-2-25-15-9-7-13(8-10-15)18(24)20-12-17(23)22-21-11-14-5-3-4-6-16(14)19/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
QMCVTEVGLFYSIK-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.05316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06044 184.3
[M+Na]+ 426.04238 191.1
[M-H]- 402.04588 193.6
[M+NH4]+ 421.08698 198.0
[M+K]+ 442.01632 179.3
[M+H-H2O]+ 386.05042 179.7
[M+HCOO]- 448.05136 207.8
[M+CH3COO]- 462.06701 224.9
[M+Na-2H]- 424.02783 188.7
[M]+ 403.05261 203.8
[M]- 403.05371 203.8
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.