CID 619101

Glucagon receptor antagonist i

Structural Information

Molecular Formula
C20H30N2OS
SMILES
CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N
InChI
InChI=1S/C20H30N2OS/c1-6-13(7-2)18(23)22-19-16(12-21)15-10-9-14(11-17(15)24-19)20(4,5)8-3/h13-14H,6-11H2,1-5H3,(H,22,23)
InChIKey
SWIBDWBSJSJQHL-UHFFFAOYSA-N
Compound name
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

346.2079 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21518 194.0
[M+Na]+ 369.19712 200.9
[M-H]- 345.20062 197.4
[M+NH4]+ 364.24172 209.3
[M+K]+ 385.17106 195.4
[M+H-H2O]+ 329.20516 181.9
[M+HCOO]- 391.20610 202.5
[M+CH3COO]- 405.22175 226.5
[M+Na-2H]- 367.18257 190.0
[M]+ 346.20735 191.0
[M]- 346.20845 191.0
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

patents stripe