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]+ 260.10298 159.8
[M+Na]+ 282.08492 169.6
[M+NH4]+ 277.12952 166.5
[M+K]+ 298.05886 165.9
[M-H]- 258.08842 165.2
[M+Na-2H]- 280.07037 166.6
[M]+ 259.09515 162.3
[M]- 259.09625 162.3
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.