PubChemLite - Pf-06751979 (C18H19F2N5O3S2)

Structural Information

Molecular Formula

SMILES

C[C@H]1C[C@H]2CSC(=N[C@]2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N

InChI

InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1

InChIKey

ZLZUHACSRMOLLV-RAALSFIWSA-N

Compound name

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	456.09703	190.0
[M+Na]+	478.07897	196.9
[M+NH4]+	473.12357	195.7
[M+K]+	494.05291	190.1
[M-H]-	454.08247	192.0
[M+Na-2H]-	476.06442	194.6
[M]+	455.08920	192.0
[M]-	455.09030	192.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.09703

190.0

[M+Na]+

478.07897

196.9

[M+NH4]+

473.12357

195.7

[M+K]+

494.05291

190.1

[M-H]-

454.08247

192.0

[M+Na-2H]-

476.06442

194.6

[M]+

455.08920

192.0

[M]-

455.09030

192.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pf-06751979

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe