CID 137321829

Dtxsid50993433

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C(C=C1)NC(=O)NC(=N)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H13N3O2/c17-15(14-10-11-6-4-5-9-13(11)21-14)19-16(20)18-12-7-2-1-3-8-12/h1-10H,(H3,17,18,19,20)
InChIKey
IDGUMIHOYWOYIZ-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-2-carboximidoyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 161.7
[M+Na]+ 302.08999 168.1
[M-H]- 278.09349 170.5
[M+NH4]+ 297.13459 177.8
[M+K]+ 318.06393 165.1
[M+H-H2O]+ 262.09803 153.8
[M+HCOO]- 324.09897 188.3
[M+CH3COO]- 338.11462 173.9
[M+Na-2H]- 300.07544 169.3
[M]+ 279.10022 161.5
[M]- 279.10132 161.5
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.