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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 155.8
[M+Na]+ 276.06312 165.6
[M-H]- 252.06662 163.7
[M+NH4]+ 271.10772 175.0
[M+K]+ 292.03706 162.7
[M+H-H2O]+ 236.07116 149.8
[M+HCOO]- 298.07210 177.9
[M+CH3COO]- 312.08775 192.5
[M+Na-2H]- 274.04857 157.5
[M]+ 253.07335 158.0
[M]- 253.07445 158.0
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.