CID 45054777

N-(2-(2-(3-(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/c1-2-9-26-17-8-3-5-14(10-17)12-22-23-18(24)13-21-19(25)15-6-4-7-16(20)11-15/h2-8,10-12H,1,9,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
MZLHUYCMDSUOOP-WSDLNYQXSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(3-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]+ 416.060436 187.4
[M+Na]+ 438.042378 194.0
[M-H]- 414.045884 196.5
[M+NH4]+ 433.086983 200.5
[M+K]+ 454.016318 181.5
[M+H-H2O]+ 398.050420 182.7
[M+HCOO]- 460.051361 210.7
[M+CH3COO]- 474.067011 227.0
[M+Na-2H]- 436.027826 191.3
[M]+ 415.05261142 206.6
[M]- 415.05370858 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.