CID 9589202

4-(3-acetophenyl)-1-(furfurylidene)semicarbazide

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C14H13N3O3/c1-10(18)11-4-2-5-12(8-11)16-14(19)17-15-9-13-6-3-7-20-13/h2-9H,1H3,(H2,16,17,19)/b15-9+
InChIKey
NUYWABMUCUHDFD-OQLLNIDSSA-N
Compound name
1-(3-acetylphenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 163.5
[M+Na]+ 294.08492 172.8
[M+NH4]+ 289.12952 169.7
[M+K]+ 310.05886 169.7
[M-H]- 270.08842 168.5
[M+Na-2H]- 292.07037 169.7
[M]+ 271.09515 165.8
[M]- 271.09625 165.8
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.