CID 9595913

302909-66-6

Structural Information

Molecular Formula
C15H14BrN3O3
SMILES
C1=COC(=C1)/C=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H14BrN3O3/c16-11-3-5-12(6-4-11)18-14(20)7-8-15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7-8H2,(H,18,20)(H,19,21)/b17-10+
InChIKey
NBYFGRLGEZELIX-LICLKQGHSA-N
Compound name
N-(4-bromophenyl)-N'-[(E)-furan-2-ylmethylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.02185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02913 177.5
[M+Na]+ 386.01107 185.0
[M-H]- 362.01457 187.8
[M+NH4]+ 381.05567 193.2
[M+K]+ 401.98501 174.5
[M+H-H2O]+ 346.01911 173.7
[M+HCOO]- 408.02005 201.9
[M+CH3COO]- 422.03570 215.3
[M+Na-2H]- 383.99652 182.3
[M]+ 363.02130 197.0
[M]- 363.02240 197.0
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

patents stripe