CID 10634622

64264-49-9

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

CC(=O)N1C2=CC=CC=C2/C(=C/C3=CC=CO3)/C1=O

InChI

InChI=1S/C15H11NO3/c1-10(17)16-14-7-3-2-6-12(14)13(15(16)18)9-11-5-4-8-19-11/h2-9H,1H3/b13-9-

InChIKey

YBZZYLRLMASFJO-LCYFTJDESA-N

Compound name

(3Z)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.0739 Da
Monoisotopic Mass: 2.0
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]+	254.081176	155.8
[M+Na]+	276.063118	165.6
[M-H]-	252.066624	163.7
[M+NH4]+	271.107723	175.0
[M+K]+	292.037058	162.7
[M+H-H2O]+	236.071160	149.8
[M+HCOO]-	298.072101	177.9
[M+CH3COO]-	312.087751	192.5
[M+Na-2H]-	274.048566	157.5
[M]+	253.07335142	158.0
[M]-	253.07444858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.