CID 87975637

7-amino-3-(1h-benzimidazol-2-yl)-2h-chromen-2-one

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=C(C=C4)N)OC3=O

InChI

InChI=1S/C16H11N3O2/c17-10-6-5-9-7-11(16(20)21-14(9)8-10)15-18-12-3-1-2-4-13(12)19-15/h1-8H,17H2,(H,18,19)

InChIKey

ZUFWLOZTRYDTFT-UHFFFAOYSA-N

Compound name

7-amino-3-(1H-benzimidazol-2-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 277.0851 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.092376	160.4
[M+Na]+	300.074318	172.6
[M-H]-	276.077824	166.8
[M+NH4]+	295.118923	175.4
[M+K]+	316.048258	166.7
[M+H-H2O]+	260.082360	152.0
[M+HCOO]-	322.083301	181.7
[M+CH3COO]-	336.098951	173.0
[M+Na-2H]-	298.059766	168.2
[M]+	277.08455142	162.0
[M]-	277.08564858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe