PubChemLite - Pf-06733804 (C20H19F5N4O4)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=CC(=C(N=C1)N)O[C@H]2CN(CC2(F)F)C(=O)CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1

InChIKey

FTAFQADCGCSJAH-HNNXBMFYSA-N

Compound name

6-amino-5-[(3S)-4,4-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-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]+	475.13994	199.7
[M+Na]+	497.12188	203.0
[M+NH4]+	492.16648	200.5
[M+K]+	513.09582	200.6
[M-H]-	473.12538	194.8
[M+Na-2H]-	495.10733	201.1
[M]+	474.13211	198.1
[M]-	474.13321	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.13994

199.7

[M+Na]+

497.12188

203.0

[M+NH4]+

492.16648

200.5

[M+K]+

513.09582

200.6

[M-H]-

473.12538

194.8

[M+Na-2H]-

495.10733

201.1

[M]+

474.13211

198.1

[M]-

474.13321

198.1

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

Pf-06733804

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe