CID 6894875

2-furaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H11N3O2/c16-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-17-11/h1-9H,(H2,14,15,16)/b13-9+
InChIKey
YRIUZBFPCBYSBJ-UKTHLTGXSA-N
Compound name
1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

229.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 149.2
[M+Na]+ 252.074348 154.8
[M-H]- 228.077854 157.9
[M+NH4]+ 247.118953 166.8
[M+K]+ 268.048288 153.6
[M+H-H2O]+ 212.082390 141.0
[M+HCOO]- 274.083331 178.5
[M+CH3COO]- 288.098981 194.7
[M+Na-2H]- 250.059796 157.1
[M]+ 229.08458142 149.2
[M]- 229.08567858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.