CID 155059

Glycosolone

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC(=CCC1=C(C2=C(C(=CC=C2)O)N(C1=O)C)OC)C
InChI
InChI=1S/C16H19NO3/c1-10(2)8-9-12-15(20-4)11-6-5-7-13(18)14(11)17(3)16(12)19/h5-8,18H,9H2,1-4H3
InChIKey
KBMGLVFFJUCSBR-UHFFFAOYSA-N
Compound name
8-hydroxy-4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

273.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 161.9
[M+Na]+ 296.125718 172.0
[M-H]- 272.129224 164.6
[M+NH4]+ 291.170323 178.2
[M+K]+ 312.099658 167.8
[M+H-H2O]+ 256.133760 155.1
[M+HCOO]- 318.134701 181.1
[M+CH3COO]- 332.150351 200.7
[M+Na-2H]- 294.111166 164.5
[M]+ 273.13595142 165.9
[M]- 273.13704858 165.9
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

patents stripe