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]+ 230.09241 149.2
[M+Na]+ 252.07435 154.8
[M-H]- 228.07785 157.9
[M+NH4]+ 247.11895 166.8
[M+K]+ 268.04829 153.6
[M+H-H2O]+ 212.08239 141.0
[M+HCOO]- 274.08333 178.5
[M+CH3COO]- 288.09898 194.7
[M+Na-2H]- 250.05980 157.1
[M]+ 229.08458 149.2
[M]- 229.08568 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.