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 152.4
[M+Na]+ 252.07435 162.6
[M+NH4]+ 247.11895 159.9
[M+K]+ 268.04829 158.4
[M-H]- 228.07785 158.4
[M+Na-2H]- 250.05980 160.2
[M]+ 229.08458 155.2
[M]- 229.08568 155.2
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.