CID 135521367

Nsc648585

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1=CC=C2C(=C1)C(C(=O)O2)C/C(=N\NC(=O)N)/C3=CC=CC=C3O
InChI
InChI=1S/C17H15N3O4/c18-17(23)20-19-13(11-6-1-3-7-14(11)21)9-12-10-5-2-4-8-15(10)24-16(12)22/h1-8,12,21H,9H2,(H3,18,20,23)/b19-13+
InChIKey
LPFOIVNYAIWPNX-CPNJWEJPSA-N
Compound name
[(E)-[1-(2-hydroxyphenyl)-2-(2-oxo-3H-1-benzofuran-3-yl)ethylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 173.1
[M+Na]+ 348.09548 178.7
[M-H]- 324.09898 181.1
[M+NH4]+ 343.14008 187.0
[M+K]+ 364.06942 176.3
[M+H-H2O]+ 308.10352 165.2
[M+HCOO]- 370.10446 196.4
[M+CH3COO]- 384.12011 214.2
[M+Na-2H]- 346.08093 176.2
[M]+ 325.10571 172.4
[M]- 325.10681 172.4
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.