CID 45054655

N-(2-(2-(2-(allyloxy)benzylidene)hydrazino)-2-oxoethyl)-3-bromobenzamide

Structural Information

Molecular Formula
C19H18BrN3O3
SMILES
C=CCOC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C19H18BrN3O3/c1-2-10-26-17-9-4-3-6-15(17)12-22-23-18(24)13-21-19(25)14-7-5-8-16(20)11-14/h2-9,11-12H,1,10,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
ZTDGRWMIWURDJT-WSDLNYQXSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.05316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06044 187.4
[M+Na]+ 438.04238 194.0
[M-H]- 414.04588 196.5
[M+NH4]+ 433.08698 200.5
[M+K]+ 454.01632 181.5
[M+H-H2O]+ 398.05042 182.7
[M+HCOO]- 460.05136 210.7
[M+CH3COO]- 474.06701 227.0
[M+Na-2H]- 436.02783 191.3
[M]+ 415.05261 206.6
[M]- 415.05371 206.6
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.