CID 139331495

Aficamten

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CCC1=NC(=NO1)C2=CC3=C(C=C2)[C@@H](CC3)NC(=O)C4=CN(N=C4)C
InChI
InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKey
IOVAZWDIRCRMTM-OAHLLOKOSA-N
Compound name
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

111
Patents

337.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 176.9
[M+Na]+ 360.14309 189.3
[M+NH4]+ 355.18769 183.0
[M+K]+ 376.11703 189.7
[M-H]- 336.14659 181.3
[M+Na-2H]- 358.12854 182.8
[M]+ 337.15332 179.7
[M]- 337.15442 179.7
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