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]+ 386.049876 182.1
[M+Na]+ 408.031818 188.4
[M-H]- 384.035324 191.3
[M+NH4]+ 403.076423 196.3
[M+K]+ 424.005758 175.9
[M+H-H2O]+ 368.039860 177.9
[M+HCOO]- 430.040801 204.7
[M+CH3COO]- 444.056451 220.6
[M+Na-2H]- 406.017266 185.9
[M]+ 385.04205142 198.6
[M]- 385.04314858 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.