CID 9589548

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

Structural Information

Molecular Formula
C13H13N3O3
SMILES
COC1=CC=CC(=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H13N3O3/c1-18-11-5-2-4-10(8-11)15-13(17)16-14-9-12-6-3-7-19-12/h2-9H,1H3,(H2,15,16,17)/b14-9+
InChIKey
GAYIDXUITKWRHY-NTEUORMPSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-(3-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 156.9
[M+Na]+ 282.08492 162.8
[M-H]- 258.08842 165.8
[M+NH4]+ 277.12952 173.5
[M+K]+ 298.05886 162.0
[M+H-H2O]+ 242.09296 148.5
[M+HCOO]- 304.09390 186.0
[M+CH3COO]- 318.10955 201.1
[M+Na-2H]- 280.07037 163.7
[M]+ 259.09515 159.0
[M]- 259.09625 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.