PubChemLite - Gdc-0134 (C19H20F4N6O2)

Structural Information

Molecular Formula

SMILES

C1CN(CC1(F)F)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

InChI

InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1

InChIKey

SKMKJBYBPYBDMN-RYUDHWBXSA-N

Compound name

3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

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]+	441.16568	193.4
[M+Na]+	463.14762	199.1
[M+NH4]+	458.19222	196.8
[M+K]+	479.12156	199.0
[M-H]-	439.15112	191.5
[M+Na-2H]-	461.13307	194.3
[M]+	440.15785	193.1
[M]-	440.15895	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.16568

193.4

[M+Na]+

463.14762

199.1

[M+NH4]+

458.19222

196.8

[M+K]+

479.12156

199.0

[M-H]-

439.15112

191.5

[M+Na-2H]-

461.13307

194.3

[M]+

440.15785

193.1

[M]-

440.15895

193.1

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

Gdc-0134

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe