CID 135260636

Ly3372689

Structural Information

Molecular Formula
C16H22FN5O3S
SMILES
C[C@H]1C[C@H](CCN1CC2=C(N=C(S2)NC(=O)C)F)OCC3=NOC(=N3)C
InChI
InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1
InChIKey
FRVXHWNHGWUTQO-CABZTGNLSA-N
Compound name
N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

383.14273 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15001 189.5
[M+Na]+ 406.13195 198.8
[M+NH4]+ 401.17655 193.6
[M+K]+ 422.10589 196.5
[M-H]- 382.13545 191.4
[M+Na-2H]- 404.11740 192.2
[M]+ 383.14218 191.4
[M]- 383.14328 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe