CID 73010930

Gsk2801

Structural Information

Molecular Formula
C20H21NO4S
SMILES
CCCOC1=CC2=C(C=C(N2C=C1)C(=O)C)C3=CC=CC=C3S(=O)(=O)C
InChI
InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
InChIKey
KHWCPNJRJCNVRI-UHFFFAOYSA-N
Compound name
1-[1-(2-methylsulfonylphenyl)-7-propoxyindolizin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

171
Patents

371.11914 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12642 187.2
[M+Na]+ 394.10836 200.8
[M+NH4]+ 389.15296 193.8
[M+K]+ 410.08230 194.0
[M-H]- 370.11186 189.5
[M+Na-2H]- 392.09381 193.2
[M]+ 371.11859 190.3
[M]- 371.11969 190.3
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

patents stripe