CID 9589555

2-furaldehyde, 4-(p-methoxyphenyl)semicarbazone

Structural Information

Molecular Formula
C13H13N3O3
SMILES
COC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H13N3O3/c1-18-11-6-4-10(5-7-11)15-13(17)16-14-9-12-3-2-8-19-12/h2-9H,1H3,(H2,15,16,17)/b14-9+
InChIKey
LMXIHZMRQLVEMU-NTEUORMPSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.102976 156.9
[M+Na]+ 282.084918 162.8
[M-H]- 258.088424 165.8
[M+NH4]+ 277.129523 173.5
[M+K]+ 298.058858 162.0
[M+H-H2O]+ 242.092960 148.5
[M+HCOO]- 304.093901 186.0
[M+CH3COO]- 318.109551 201.1
[M+Na-2H]- 280.070366 163.7
[M]+ 259.09515142 159.0
[M]- 259.09624858 159.0
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

No patent data available for this compound.