CID 16038386

Gsk1034702

Structural Information

Molecular Formula
C18H24FN3O2
SMILES
CC1=CC2=C(C(=C1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4
InChI
InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)
InChIKey
KRRSQJOVDWYKHH-UHFFFAOYSA-N
Compound name
7-fluoro-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

61
Patents

333.18524 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19252 182.2
[M+Na]+ 356.17446 194.6
[M+NH4]+ 351.21906 188.7
[M+K]+ 372.14840 189.6
[M-H]- 332.17796 186.0
[M+Na-2H]- 354.15991 186.1
[M]+ 333.18469 184.8
[M]- 333.18579 184.8
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