CID 98638075

881466-79-1

Structural Information

Molecular Formula
C18H16BrN3O2
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C18H16BrN3O2/c1-13(11-14-5-3-2-4-6-14)12-20-22-18(24)17(23)21-16-9-7-15(19)8-10-16/h2-12H,1H3,(H,21,23)(H,22,24)/b13-11+,20-12+
InChIKey
PGQDMYSPNSXCFA-SUZRTUOYSA-N
Compound name
N-(4-bromophenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0426 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04988 182.1
[M+Na]+ 408.03182 188.4
[M-H]- 384.03532 191.3
[M+NH4]+ 403.07642 196.3
[M+K]+ 424.00576 175.9
[M+H-H2O]+ 368.03986 177.9
[M+HCOO]- 430.04080 204.7
[M+CH3COO]- 444.05645 220.6
[M+Na-2H]- 406.01727 185.9
[M]+ 385.04205 198.6
[M]- 385.04315 198.6
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.