CID 506550

2-methyl-4-(1-methylindol-2-yl)-2h-furan-5-one

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC1C=C(C(=O)O1)C2=CC3=CC=CC=C3N2C
InChI
InChI=1S/C14H13NO2/c1-9-7-11(14(16)17-9)13-8-10-5-3-4-6-12(10)15(13)2/h3-9H,1-2H3
InChIKey
MSTWSIKFWXXUGT-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-methylindol-2-yl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 147.9
[M+Na]+ 250.08386 159.8
[M-H]- 226.08736 156.5
[M+NH4]+ 245.12846 168.8
[M+K]+ 266.05780 157.0
[M+H-H2O]+ 210.09190 142.2
[M+HCOO]- 272.09284 172.1
[M+CH3COO]- 286.10849 162.9
[M+Na-2H]- 248.06931 151.5
[M]+ 227.09409 152.3
[M]- 227.09519 152.3
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.